Title Card Required GAUSSIAN 37 MOL ORBITALS 300 PRIMITIVES 15 NUCLEI C 1 (CENTRE 1) -0.80788228 2.25921055 -0.00101012 CHARGE = 6.0 C 2 (CENTRE 2) 1.81687610 2.27995201 -0.01899111 CHARGE = 6.0 C 3 (CENTRE 3) 3.16278332 0.00050616 -0.02266301 CHARGE = 6.0 C 4 (CENTRE 4) 1.81729491 -2.27952928 -0.01899129 CHARGE = 6.0 C 5 (CENTRE 5) -0.80718779 -2.25927026 -0.00101936 CHARGE = 6.0 C 6 (CENTRE 6) -2.15607118 -0.00007739 0.00867998 CHARGE = 6.0 H 7 (CENTRE 7) 2.78121567 4.08996276 -0.03163143 CHARGE = 1.0 H 8 (CENTRE 8) 2.78210514 -4.08931877 -0.03167814 CHARGE = 1.0 F 9 (CENTRE 9) -2.10683790 -4.43964796 -0.00176457 CHARGE = 9.0 F 10 (CENTRE 10) -4.68914218 -0.00058578 0.01519523 CHARGE = 9.0 F 11 (CENTRE 11) -2.10766518 4.43950727 -0.00176865 CHARGE = 9.0 C 12 (CENTRE 12) 6.01765087 0.00025319 0.02375968 CHARGE = 6.0 H 13 (CENTRE 13) 6.73251165 -0.02529241 1.97142665 CHARGE = 1.0 H 14 (CENTRE 14) 6.78834895 -1.66185719 -0.93754495 CHARGE = 1.0 H 15 (CENTRE 15) 6.78784223 1.68677405 -0.89411887 CHARGE = 1.0 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 CENTRE ASSIGNMENTS 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 CENTRE ASSIGNMENTS 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 CENTRE ASSIGNMENTS 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 CENTRE ASSIGNMENTS 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 CENTRE ASSIGNMENTS 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 CENTRE ASSIGNMENTS 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 CENTRE ASSIGNMENTS 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 CENTRE ASSIGNMENTS 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 CENTRE ASSIGNMENTS 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 TYPE ASSIGNMENTS 3 3 3 4 4 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 3 4 5 6 TYPE ASSIGNMENTS 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 TYPE ASSIGNMENTS 4 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 2 2 2 3 3 3 4 4 4 1 2 3 4 5 6 7 8 9 10 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 3 4 5 6 TYPE ASSIGNMENTS 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 TYPE ASSIGNMENTS 4 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 2 2 2 3 3 3 4 4 4 1 2 3 4 5 6 7 8 9 10 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 1 1 1 EXPONENTS 0.3047525D+04 0.4573695D+03 0.1039487D+03 0.2921016D+02 0.9286663D+01 EXPONENTS 0.3163927D+01 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.1687145D+00 0.1687145D+00 EXPONENTS 0.1687145D+00 0.1687145D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.3047525D+04 0.4573695D+03 EXPONENTS 0.1039487D+03 0.2921016D+02 0.9286663D+01 0.3163927D+01 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 EXPONENTS 0.5442493D+00 0.1687145D+00 0.1687145D+00 0.1687145D+00 0.1687145D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.3047525D+04 0.4573695D+03 0.1039487D+03 0.2921016D+02 EXPONENTS 0.9286663D+01 0.3163927D+01 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 EXPONENTS 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.1687145D+00 EXPONENTS 0.1687145D+00 0.1687145D+00 0.1687145D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.3047525D+04 EXPONENTS 0.4573695D+03 0.1039487D+03 0.2921016D+02 0.9286663D+01 0.3163927D+01 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 EXPONENTS 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.1687145D+00 0.1687145D+00 0.1687145D+00 EXPONENTS 0.1687145D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.3047525D+04 0.4573695D+03 0.1039487D+03 EXPONENTS 0.2921016D+02 0.9286663D+01 0.3163927D+01 0.7868272D+01 0.1881289D+01 EXPONENTS 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.1687145D+00 0.1687145D+00 0.1687145D+00 0.1687145D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.3047525D+04 0.4573695D+03 0.1039487D+03 0.2921016D+02 0.9286663D+01 EXPONENTS 0.3163927D+01 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.1687145D+00 0.1687145D+00 EXPONENTS 0.1687145D+00 0.1687145D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.1873114D+02 0.2825394D+01 EXPONENTS 0.6401217D+00 0.1612778D+00 0.1873114D+02 0.2825394D+01 0.6401217D+00 EXPONENTS 0.1612778D+00 0.7001713D+04 0.1051366D+04 0.2392857D+03 0.6739745D+02 EXPONENTS 0.2151996D+02 0.7403101D+01 0.2084795D+02 0.4808308D+01 0.1344070D+01 EXPONENTS 0.2084795D+02 0.4808308D+01 0.1344070D+01 0.2084795D+02 0.4808308D+01 EXPONENTS 0.1344070D+01 0.2084795D+02 0.4808308D+01 0.1344070D+01 0.3581514D+00 EXPONENTS 0.3581514D+00 0.3581514D+00 0.3581514D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.7001713D+04 EXPONENTS 0.1051366D+04 0.2392857D+03 0.6739745D+02 0.2151996D+02 0.7403101D+01 EXPONENTS 0.2084795D+02 0.4808308D+01 0.1344070D+01 0.2084795D+02 0.4808308D+01 EXPONENTS 0.1344070D+01 0.2084795D+02 0.4808308D+01 0.1344070D+01 0.2084795D+02 EXPONENTS 0.4808308D+01 0.1344070D+01 0.3581514D+00 0.3581514D+00 0.3581514D+00 EXPONENTS 0.3581514D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.7001713D+04 0.1051366D+04 0.2392857D+03 EXPONENTS 0.6739745D+02 0.2151996D+02 0.7403101D+01 0.2084795D+02 0.4808308D+01 EXPONENTS 0.1344070D+01 0.2084795D+02 0.4808308D+01 0.1344070D+01 0.2084795D+02 EXPONENTS 0.4808308D+01 0.1344070D+01 0.2084795D+02 0.4808308D+01 0.1344070D+01 EXPONENTS 0.3581514D+00 0.3581514D+00 0.3581514D+00 0.3581514D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.3047525D+04 0.4573695D+03 0.1039487D+03 0.2921016D+02 0.9286663D+01 EXPONENTS 0.3163927D+01 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.7868272D+01 EXPONENTS 0.1881289D+01 0.5442493D+00 0.7868272D+01 0.1881289D+01 0.5442493D+00 EXPONENTS 0.7868272D+01 0.1881289D+01 0.5442493D+00 0.1687145D+00 0.1687145D+00 EXPONENTS 0.1687145D+00 0.1687145D+00 0.8000000D+00 0.8000000D+00 0.8000000D+00 EXPONENTS 0.8000000D+00 0.8000000D+00 0.8000000D+00 0.1873114D+02 0.2825394D+01 EXPONENTS 0.6401217D+00 0.1612778D+00 0.1873114D+02 0.2825394D+01 0.6401217D+00 EXPONENTS 0.1612778D+00 0.1873114D+02 0.2825394D+01 0.6401217D+00 0.1612778D+00 MO 1 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -24.720173 0.10718649D-04 0.19773814D-04 0.31921067D-04 0.41551744D-04 0.35456179D-04 0.12242166D-04 -0.79131492D-04 -0.36471632D-04 0.10227026D-03 -0.21486709D-04 -0.16474646D-04 -0.82220030D-05 0.38048565D-04 0.29173226D-04 0.14559484D-04 0.10899236D-06 0.83568431D-07 0.41706504D-07 -0.23136478D-03 0.99423998D-06 0.17383083D-03 -0.23067122D-06 -0.67583525D-04 -0.70809736D-04 0.40941170D-04 -0.97068602D-04 0.97700732D-06 0.82283646D-06 0.79128625D-07 0.14597686D-06 0.23565192D-06 0.30674878D-06 0.26174929D-06 0.90375739D-07 0.46463793D-05 0.21415120D-05 -0.60050231D-05 -0.39204775D-04 -0.30059735D-04 -0.15001915D-04 0.82911058D-05 0.63570941D-05 0.31726355D-05 0.53840547D-06 0.41281516D-06 0.20602370D-06 0.94410826D-04 0.12410664D-05 -0.90800566D-04 -0.13148026D-06 0.19746025D-04 0.11925784D-04 0.49960161D-05 -0.10293257D-04 -0.42910571D-06 0.69313094D-06 0.38505629D-05 0.71035366D-05 0.11467311D-04 0.14927031D-04 0.12737263D-04 0.43978707D-05 -0.18949248D-04 -0.87336913D-05 0.24490182D-04 0.56264876D-05 0.43140338D-05 0.21530052D-05 0.50527622D-07 0.38741376D-07 0.19334662D-07 -0.47795373D-06 -0.36646461D-06 -0.18289152D-06 -0.17406871D-03 0.66767260D-04 -0.17195182D-06 0.75799878D-06 0.24357548D-05 -0.25068506D-04 0.15903626D-04 0.42487732D-07 0.13472447D-05 -0.85434452D-09 0.84074089D-07 0.15510028D-06 0.25037994D-06 0.32592029D-06 0.27810837D-06 0.96024137D-07 0.46146589D-05 0.21268921D-05 -0.59640274D-05 -0.39257604D-04 -0.30100241D-04 -0.15022130D-04 -0.83123286D-05 -0.63733664D-05 -0.31807565D-05 0.53138558D-06 0.40743276D-06 0.20333750D-06 0.94165706D-04 0.11179760D-05 0.90664936D-04 -0.12776233D-06 0.19709100D-04 0.11908847D-04 0.50100873D-05 0.10239397D-04 -0.42534109D-06 -0.69464866D-06 0.10715410D-04 0.19767840D-04 0.31911423D-04 0.41539190D-04 0.35445466D-04 0.12238468D-04 -0.79116022D-04 -0.36464502D-04 0.10225027D-03 -0.21471726D-04 -0.16463157D-04 -0.82162694D-05 -0.38056257D-04 -0.29179124D-04 -0.14562428D-04 0.11078019D-06 0.84939222D-07 0.42390625D-07 -0.23121160D-03 0.94870604D-06 -0.17372412D-03 -0.23215665D-06 -0.67588888D-04 -0.70755730D-04 0.40920797D-04 0.97088607D-04 0.97565838D-06 -0.82329063D-06 -0.20112429D-04 -0.37103504D-04 -0.59896561D-04 -0.77967525D-04 -0.66529830D-04 -0.22971152D-04 -0.46147034D-04 -0.21269126D-04 0.59640849D-04 -0.90549295D-03 -0.69427456D-03 -0.34649166D-03 -0.12707470D-06 -0.97432822D-07 -0.48625807D-07 0.20936065D-05 0.16052447D-05 0.80112960D-06 0.28585981D-03 0.28910470D-03 0.11769610D-06 -0.13645385D-05 0.49568580D-03 0.38748419D-04 -0.12296343D-03 0.22167276D-06 -0.38890264D-05 -0.13972959D-08 0.78201261D-05 0.13264414D-04 0.15101067D-04 0.22685183D-04 0.78237520D-05 0.13270564D-04 0.15108068D-04 0.22658577D-04 -0.11577114D-02 -0.21357455D-02 -0.34593505D-02 -0.45593372D-02 -0.39139530D-02 -0.13303972D-02 -0.16414736D-03 -0.73733900D-04 0.21845862D-03 0.14821139D-04 0.11439874D-04 0.48563748D-05 0.83374121D-04 0.64353316D-04 0.27318816D-04 0.19178089D-06 0.14802838D-06 0.62839966D-07 -0.29853779D-03 -0.40099254D-04 -0.18513849D-04 0.26540343D-07 0.20932818D-03 0.23618162D-03 0.23610696D-03 -0.11501274D-04 -0.23913536D-07 0.43260760D-07 0.98564670D+00 0.18183206D+01 0.29452050D+01 0.38817064D+01 0.33322423D+01 0.11326671D+01 -0.14632741D-01 -0.65729297D-02 0.19474261D-01 0.35441940D-02 0.27356287D-02 0.11613098D-02 0.76892302D-06 0.59350246D-06 0.25194948D-06 -0.10089594D-04 -0.77877746D-05 -0.33060112D-05 0.53096386D-02 -0.12745613D-03 -0.41157210D-07 0.63312066D-06 -0.96199999D-02 -0.90655144D-02 -0.90845467D-02 -0.22949499D-06 0.29948010D-05 0.33171779D-09 -0.11536296D-02 -0.21282155D-02 -0.34471538D-02 -0.45432623D-02 -0.39001535D-02 -0.13257066D-02 -0.16414444D-03 -0.73732589D-04 0.21845474D-03 0.14915503D-04 0.11512710D-04 0.48872945D-05 -0.83271169D-04 -0.64273851D-04 -0.27285082D-04 0.19641346D-06 0.15160408D-06 0.64357898D-07 -0.29845585D-03 -0.40120385D-04 0.18472028D-04 0.24679562D-07 0.20922725D-03 0.23611433D-03 0.23596589D-03 0.11530139D-04 -0.25243104D-07 -0.41940864D-07 0.11734615D-05 0.21648073D-05 0.34946702D-05 0.45490223D-05 0.38816890D-05 0.13402539D-05 -0.33561345D-05 -0.15468393D-05 0.43374989D-05 -0.39960802D-05 -0.30639409D-05 -0.15291212D-05 -0.13907818D-06 -0.10663633D-06 -0.53219002D-07 0.35607361D-05 0.27301466D-05 0.13625345D-05 -0.21931950D-04 0.85713426D-05 0.13910853D-06 -0.23865532D-05 0.35776154D-05 0.12418655D-05 0.70343338D-05 -0.29687132D-07 -0.11988548D-05 -0.24395913D-07 0.46908784D-06 0.79566177D-06 0.90583280D-06 0.22599437D-05 0.61693664D-06 0.10464413D-05 0.11913364D-05 -0.23800829D-05 0.61591525D-06 0.10447088D-05 0.11893641D-05 -0.25520522D-05 MO 2 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -24.718844 0.15203143D-05 0.28046831D-05 0.45276281D-05 0.58936265D-05 0.50290422D-05 0.17364074D-05 0.29064203D-05 0.13395665D-05 -0.37562842D-05 -0.27065867D-04 -0.20752390D-04 -0.10356897D-04 -0.34873028D-04 -0.26738426D-04 -0.13344349D-04 0.38334933D-06 0.29392795D-06 0.14669065D-06 0.86740188D-04 0.10997155D-03 -0.13222940D-04 -0.60802953D-06 0.25207832D-04 0.14491103D-04 0.12488273D-04 0.97531754D-05 -0.21207953D-06 -0.19755885D-06 0.51066018D-05 0.94206832D-05 0.15207904D-04 0.19796172D-04 0.16892109D-04 0.58324394D-05 -0.23843344D-04 -0.10989375D-04 0.30815356D-04 -0.12290746D-06 -0.94237645D-07 -0.47031189D-07 0.31025038D-05 0.23788031D-05 0.11871895D-05 0.46563607D-06 0.35702020D-06 0.17817810D-06 -0.19055909D-03 0.59573348D-04 0.46012944D-04 -0.82882737D-06 -0.20247096D-04 -0.52643380D-05 0.22718874D-04 0.23754125D-04 0.66013716D-06 0.48253781D-06 -0.16988081D-05 -0.31339692D-05 -0.50591981D-05 -0.65855727D-05 -0.56194811D-05 -0.19402718D-05 0.16115698D-04 0.74277107D-05 -0.20828076D-04 -0.78035626D-05 -0.59832768D-05 -0.29860745D-05 -0.36562024D-04 -0.28033441D-04 -0.13990652D-04 -0.57899538D-07 -0.44393693D-07 -0.22155564D-07 0.14953687D-03 -0.85936330D-04 -0.37277835D-05 0.10022838D-05 0.14736081D-04 0.40210488D-04 -0.16475452D-05 0.16500630D-04 0.11367077D-05 -0.18223216D-06 0.76819393D-05 0.14171678D-04 0.22877482D-04 0.29779684D-04 0.25411059D-04 0.87738279D-05 -0.78232245D-04 -0.36057170D-04 0.10110807D-03 0.62132708D-05 0.47639419D-05 0.23775409D-05 0.59278594D-05 0.45451066D-05 0.22683267D-05 -0.26454085D-06 -0.20283315D-06 -0.10122796D-06 -0.21714808D-03 0.94490591D-04 -0.12973592D-03 -0.10139380D-05 -0.14293950D-03 -0.60035764D-04 0.35931884D-04 -0.37065858D-04 0.24167299D-05 -0.88123346D-06 -0.19048148D-04 -0.35140114D-04 -0.56727040D-04 -0.73841751D-04 -0.63009300D-04 -0.21755597D-04 -0.42496971D-04 -0.19586815D-04 0.54923474D-04 -0.44896528D-03 -0.34423810D-03 -0.17179894D-03 -0.77563026D-03 -0.59470409D-03 -0.29679902D-03 -0.42378952D-06 -0.32493493D-06 -0.16216530D-06 0.26983095D-03 0.89303039D-04 0.26242355D-03 -0.51769591D-08 0.18073912D-03 0.38942549D-03 -0.11458434D-03 0.40856580D-03 -0.18381628D-05 0.78763902D-06 0.10361043D-04 0.19114102D-04 0.30856087D-04 0.40165457D-04 0.34273258D-04 0.11833732D-04 -0.83033204D-04 -0.38269928D-04 0.10731287D-03 -0.48731506D-04 -0.37364228D-04 -0.18647368D-04 -0.47970214D-05 -0.36780518D-05 -0.18356056D-05 0.42391697D-06 0.32503265D-06 0.16221407D-06 -0.21661475D-03 -0.14349170D-03 0.13680666D-03 0.70090716D-06 -0.31901837D-04 -0.12531380D-03 0.37234911D-04 0.55916015D-04 0.69461153D-06 -0.11954421D-05 -0.38943646D-06 -0.66055794D-06 -0.75202187D-06 -0.17353697D-04 -0.19261019D-06 -0.32670334D-06 -0.37194020D-06 -0.69107985D-04 0.98557979D+00 0.18181971D+01 0.29450051D+01 0.38814428D+01 0.33320160D+01 0.11325902D+01 -0.14649968D-01 -0.65806681D-02 0.19497188D-01 0.17622157D-02 0.13601873D-02 0.57741715D-03 0.29802166D-02 0.23003159D-02 0.97651392D-03 -0.21255171D-07 -0.16406059D-07 -0.69645844D-08 0.52792981D-02 -0.55920568D-04 -0.11787104D-03 0.13319387D-06 -0.91881021D-02 -0.94640869D-02 -0.90697485D-02 -0.48485654D-03 -0.29298535D-06 -0.59707548D-07 0.12384606D-02 0.22847115D-02 0.37006366D-02 0.48773463D-02 0.41869471D-02 0.14231910D-02 -0.20165885D-03 -0.90583810D-04 0.26838150D-03 0.90120621D-04 0.69560682D-04 0.29529411D-04 -0.23685471D-04 -0.18281915D-04 -0.77609098D-05 -0.11867112D-06 -0.91597727D-07 -0.38884422D-07 -0.28810910D-03 -0.37595140D-04 -0.33258989D-04 -0.37094240D-07 0.20266019D-03 0.20078309D-03 0.21597882D-03 -0.37836576D-04 -0.57273326D-07 -0.22688668D-06 -0.11839989D-01 -0.21842406D-01 -0.35378999D-01 -0.46628634D-01 -0.40028248D-01 -0.13606057D-01 0.18101625D-03 0.81311293D-04 -0.24090891D-03 -0.37930572D-05 -0.29277167D-05 -0.12428537D-05 0.12826655D-04 0.99004074D-05 0.42028512D-05 -0.26606686D-06 -0.20536690D-06 -0.87180909D-07 -0.31106034D-04 -0.10851154D-04 -0.34967551D-05 0.16117457D-06 0.96272609D-04 0.10714422D-03 0.12572100D-03 0.29316343D-06 0.33846856D-06 0.13767688D-07 0.28278618D-05 0.52168528D-05 0.84216180D-05 0.10962444D-04 0.93542737D-05 0.32298059D-05 -0.78020119D-05 -0.35959402D-05 0.10083392D-04 -0.17257640D-04 -0.13232064D-04 -0.66037271D-05 -0.47585258D-05 -0.36485357D-05 -0.18208750D-05 0.30702930D-05 0.23541060D-05 0.11748639D-05 0.15958947D-04 -0.31935521D-05 0.36751510D-05 -0.31057323D-05 0.42643445D-05 0.98853877D-05 0.15596212D-04 -0.15283506D-05 -0.24831710D-06 -0.34843447D-05 0.44361053D-06 0.75244743D-06 0.85663480D-06 0.33480415D-05 0.90319321D-06 0.15319866D-05 0.17441126D-05 0.17520721D-06 -0.41064544D-07 -0.69653239D-07 -0.79297750D-07 -0.31832645D-05 MO 3 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -24.718839 -0.19015149D-04 -0.35079238D-04 -0.56628767D-04 -0.73713828D-04 -0.62900143D-04 -0.21717908D-04 -0.42446838D-04 -0.19563709D-04 0.54858681D-04 -0.44988702D-03 -0.34494483D-03 -0.17215165D-03 0.77494140D-03 0.59417591D-03 0.29653542D-03 -0.42089697D-06 -0.32271710D-06 -0.16105845D-06 0.27202007D-03 0.91946538D-04 -0.26282893D-03 -0.19132696D-07 0.18137684D-03 0.38989974D-03 -0.11430588D-03 -0.40843420D-03 -0.18406098D-05 -0.79697507D-06 0.78021660D-05 0.14393473D-04 0.23235528D-04 0.30245753D-04 0.25808756D-04 0.89111433D-05 -0.78799929D-04 -0.36318815D-04 0.10184175D-03 0.62142626D-05 0.47647024D-05 0.23779204D-05 -0.58722112D-05 -0.45024391D-05 -0.22470327D-05 -0.25196353D-06 -0.19318965D-06 -0.96415177D-07 -0.22152055D-03 0.95930588D-04 0.13084342D-03 -0.10335525D-05 -0.14340379D-03 -0.60174186D-04 0.36473213D-04 0.37598077D-04 0.24309574D-05 0.89324072D-06 -0.17466249D-05 -0.32221819D-05 -0.52016007D-05 -0.67709386D-05 -0.57776542D-05 -0.19948851D-05 0.16524566D-04 0.76161575D-05 -0.21356501D-04 -0.80224759D-05 -0.61511257D-05 -0.30698428D-05 0.35801235D-04 0.27450116D-04 0.13699532D-04 -0.56799306D-07 -0.43550105D-07 -0.21734555D-07 0.15332425D-03 -0.88068221D-04 0.33162866D-05 0.10224793D-05 0.15080916D-04 0.41180790D-04 -0.17222157D-05 -0.16062403D-04 0.11587355D-05 0.17595708D-06 0.52987696D-05 0.97751953D-05 0.15780196D-04 0.20541127D-04 0.17527781D-04 0.60519214D-05 -0.25762316D-04 -0.11873828D-04 0.33295453D-04 0.18446550D-07 0.14143644D-07 0.70586698D-08 -0.29519547D-05 -0.22633716D-05 -0.11295811D-05 0.45597041D-06 0.34960919D-06 0.17447949D-06 -0.19611115D-03 0.61777962D-04 -0.49297585D-04 -0.85025293D-06 -0.23688400D-04 -0.67494197D-05 0.23612898D-04 -0.24718153D-04 0.72074343D-06 -0.50105505D-06 0.10598746D-05 0.19552618D-05 0.31563987D-05 0.41086933D-05 0.35059554D-05 0.12105222D-05 0.19011935D-05 0.87625835D-06 -0.24571199D-05 -0.37833360D-04 -0.29008221D-04 -0.14477135D-04 0.16210326D-04 0.12429050D-04 0.62029669D-05 0.37504396D-06 0.28755992D-06 0.14351255D-06 0.93298058D-04 0.11212561D-03 0.19643826D-04 -0.60937412D-06 0.29555462D-04 0.23852531D-04 0.97333321D-05 0.61021059D-07 -0.25724451D-06 0.21694532D-06 0.10614489D-04 0.19581660D-04 0.31610871D-04 0.41147961D-04 0.35111630D-04 0.12123202D-04 -0.85059576D-04 -0.39203881D-04 0.10993177D-03 -0.49912849D-04 -0.38270007D-04 -0.19099416D-04 0.46699566D-05 0.35806265D-05 0.17869836D-05 0.43385377D-06 0.33265155D-06 0.16601644D-06 -0.22210440D-03 -0.14696829D-03 -0.13362228D-03 0.71795704D-06 -0.32714820D-04 -0.12838101D-03 0.38158521D-04 -0.54550624D-04 0.71060614D-06 0.11659239D-05 -0.20097992D-06 -0.34089999D-06 -0.38810258D-06 -0.69555541D-04 -0.38804354D-06 -0.65819529D-06 -0.74933207D-06 -0.19069757D-04 0.11836825D-01 0.21836569D-01 0.35369545D-01 0.46616174D-01 0.40017552D-01 0.13602421D-01 -0.17087709D-03 -0.76756852D-04 0.22741502D-03 0.38529562D-04 0.29739505D-04 0.12624805D-04 0.58785373D-04 0.45374196D-04 0.19261934D-04 -0.26792400D-06 -0.20680035D-06 -0.87789430D-07 0.95822634D-04 -0.12175464D-04 0.66610157D-06 0.16494903D-06 -0.12450449D-03 -0.12026708D-03 -0.92187024D-04 -0.11925817D-04 0.33222334D-06 -0.14536114D-07 0.12644024D-02 0.23325690D-02 0.37781534D-02 0.49795114D-02 0.42746506D-02 0.14530024D-02 -0.20638508D-03 -0.92706804D-04 0.27467150D-03 0.92219100D-04 0.71180419D-04 0.30217010D-04 0.23038507D-04 0.17782548D-04 0.75489219D-05 -0.12137048D-06 -0.93681262D-07 -0.39768909D-07 -0.29498651D-03 -0.38479903D-04 0.32479823D-04 -0.38101211D-07 0.20751831D-03 0.20562313D-03 0.22111921D-03 0.36976704D-04 -0.59225396D-07 0.22107027D-06 0.98557976D+00 0.18181971D+01 0.29450050D+01 0.38814427D+01 0.33320159D+01 0.11325901D+01 -0.14649859D-01 -0.65806190D-02 0.19497042D-01 0.17627282D-02 0.13605829D-02 0.57758509D-03 -0.29807581D-02 -0.23007339D-02 -0.97669135D-03 -0.81445219D-08 -0.62864469D-08 -0.26686782D-08 0.52800458D-02 -0.56185993D-04 0.11783604D-03 0.13654117D-06 -0.91884433D-02 -0.94641993D-02 -0.90693240D-02 0.48503713D-03 -0.28742504D-06 0.65237617D-07 0.28947529D-05 0.53402539D-05 0.86208256D-05 0.11221753D-04 0.95755426D-05 0.33062047D-05 -0.79819740D-05 -0.36788845D-05 0.10315976D-04 -0.17641847D-04 -0.13526650D-04 -0.67507462D-05 0.43843946D-05 0.33616757D-05 0.16777118D-05 0.31290559D-05 0.23991616D-05 0.11973498D-05 0.16350621D-04 -0.32868963D-05 -0.33072484D-05 -0.31690904D-05 0.43667009D-05 0.99966231D-05 0.16104559D-04 0.14324697D-05 -0.25577587D-06 0.33614792D-05 0.43452796D-06 0.73704166D-06 0.83909588D-06 0.33771949D-05 -0.10642447D-07 -0.18051604D-07 -0.20551114D-07 -0.29810159D-05 0.89559371D-06 0.15190964D-05 0.17294376D-05 -0.17272860D-07 MO 4 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -10.288637 0.27994833D+00 0.51645001D+00 0.83371044D+00 0.10852433D+01 0.92604005D+00 0.31973938D+00 -0.10351237D-01 -0.47708757D-02 0.13378033D-01 -0.52330228D-03 -0.40123499D-03 -0.20024438D-03 0.84156765D-03 0.64526070D-03 0.32203031D-03 -0.24994884D-05 -0.19164492D-05 -0.95644244D-06 -0.27265112D-02 -0.50677339D-03 0.92771310D-03 0.20550610D-05 -0.51431489D-02 -0.47772832D-02 -0.54894289D-02 -0.37259724D-03 -0.24162499D-05 -0.24884161D-05 0.85578125D-03 0.15787493D-02 0.25485909D-02 0.33175081D-02 0.28308357D-02 0.97741953D-03 0.23218021D-03 0.10701165D-03 -0.30007183D-03 0.23159994D-03 0.17757614D-03 0.88622940D-04 0.13359104D-03 0.10242913D-03 0.51119316D-04 -0.29382146D-05 -0.22528366D-05 -0.11243233D-05 0.17387805D-02 -0.49383961D-03 -0.72961323D-03 0.59212886D-05 -0.19049907D-03 -0.17042383D-03 -0.27621008D-03 0.10012174D-03 -0.21743167D-05 -0.31805655D-05 0.39773543D-04 0.73374420D-04 0.11844906D-03 0.15418549D-03 0.13156676D-03 0.45426839D-04 -0.10613430D-03 -0.48917202D-04 0.13716894D-03 0.14590170D-03 0.11186817D-03 0.55830058D-04 0.20622515D-04 0.15812036D-04 0.78913143D-05 -0.68813734D-06 -0.52762006D-06 -0.26331939D-06 -0.16846405D-02 0.59869297D-03 0.64242689D-04 -0.52716388D-05 0.38825085D-04 0.64870561D-04 0.58906665D-04 0.32481686D-05 -0.86671100D-05 0.57351780D-06 0.14180413D-02 0.26160093D-02 0.42230502D-02 0.54971566D-02 0.46907337D-02 0.16195976D-02 0.28507567D-03 0.13139112D-03 -0.36843440D-03 0.32725018D-03 0.25091468D-03 0.12522401D-03 -0.15394931D-03 -0.11803857D-03 -0.58909518D-04 -0.14576679D-05 -0.11176473D-05 -0.55778432D-06 0.22366335D-02 -0.60040169D-03 0.90727052D-03 0.62330692D-05 -0.32235579D-03 -0.25670359D-03 -0.34886426D-03 -0.18405350D-03 -0.13744376D-05 0.36447121D-05 0.44985195D+00 0.82988901D+00 0.13396982D+01 0.17438890D+01 0.14880636D+01 0.51379261D+00 -0.16631343D-01 -0.76653707D-02 0.21494499D-01 -0.88837732D-03 -0.68115138D-03 -0.33994228D-03 -0.12751580D-02 -0.97771028D-03 -0.48794595D-03 -0.42752186D-05 -0.32779665D-05 -0.16359350D-05 -0.35512062D-02 -0.70381105D-03 -0.12555195D-02 0.33802710D-05 -0.82265486D-02 -0.77071771D-02 -0.87983732D-02 0.71476291D-03 -0.26061022D-05 0.37695521D-05 0.53643413D-01 0.98961622D-01 0.15975474D+00 0.20795321D+00 0.17744685D+00 0.61268133D-01 -0.15473741D-02 -0.71318331D-03 0.19998405D-02 -0.38012662D-03 -0.29145698D-03 -0.14545746D-03 0.93390102D-04 0.71605606D-04 0.35736216D-04 0.28766533D-06 0.22056353D-06 0.11007666D-06 0.26544180D-02 0.12157661D-02 -0.58292957D-04 -0.69358698D-05 -0.13674043D-02 -0.18494036D-02 -0.14951495D-02 -0.21200407D-07 -0.14488905D-05 -0.95094982D-08 0.36686710D-04 0.62227605D-04 0.70843928D-04 0.26115903D-03 0.41889085D-04 0.71051816D-04 0.80889981D-04 0.31754561D-03 0.24779868D-03 0.45713890D-03 0.74044576D-03 0.97588895D-03 0.83774971D-03 0.28476066D-03 -0.13517089D-02 -0.60717866D-03 0.17989475D-02 0.47910441D-03 0.36980249D-03 0.15698595D-03 0.61226216D-03 0.47258189D-03 0.20061714D-03 0.53426266D-05 0.41237705D-05 0.17505940D-05 -0.21561757D-02 -0.47259822D-03 -0.72206557D-03 -0.23825156D-05 0.11010573D-02 0.49651170D-03 0.15431987D-02 -0.11641906D-02 -0.79073351D-06 -0.30683576D-05 -0.15786556D-03 -0.29123031D-03 -0.47171713D-03 -0.62171134D-03 -0.53370673D-03 -0.18141299D-03 0.67315195D-03 0.30237537D-03 -0.89587703D-03 -0.80306231D-04 -0.61985328D-04 -0.26313575D-04 -0.34324153D-04 -0.26493509D-04 -0.11246838D-04 -0.25175235D-05 -0.19431807D-05 -0.82490539D-06 0.11416403D-02 0.60136318D-04 0.18631710D-04 0.13356752D-05 -0.70034982D-03 -0.59646215D-03 -0.64396858D-03 -0.15475726D-04 0.15461552D-05 0.32798129D-06 0.13531810D-03 0.24963476D-03 0.40434320D-03 0.53291419D-03 0.45747901D-03 0.15550232D-03 -0.76161484D-03 -0.34211231D-03 0.10136095D-02 0.32305261D-03 0.24935203D-03 0.10585317D-03 -0.27061384D-03 -0.20887654D-03 -0.88670797D-04 0.25614107D-05 0.19770556D-05 0.83928570D-06 -0.12450027D-02 -0.29349061D-03 0.38876304D-03 -0.12398261D-05 0.59181575D-03 0.26362383D-03 0.85986689D-03 0.70618594D-03 -0.71111091D-06 0.15011186D-05 -0.27488977D-04 -0.50711794D-04 -0.81864559D-04 -0.10656333D-03 -0.90930684D-04 -0.31396180D-04 0.72314976D-04 0.33329906D-04 -0.93460537D-04 0.20626705D-04 0.15815249D-04 0.78929176D-05 0.17290318D-05 0.13257120D-05 0.66162318D-06 -0.52716896D-05 -0.40419973D-05 -0.20172399D-05 0.21990792D-04 -0.24435294D-04 -0.18080451D-04 0.94307908D-05 0.11385559D-04 -0.74342790D-04 -0.71293225D-04 0.30131816D-04 0.90459847D-06 0.11981777D-04 -0.93577428D-05 -0.15872503D-04 -0.18070284D-04 -0.13032960D-04 -0.94411447D-05 -0.16013968D-04 -0.18231337D-04 -0.46078816D-05 -0.59355390D-05 -0.10067798D-04 -0.11461832D-04 0.62273679D-05 MO 5 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -10.288593 0.45136244D+00 0.83267556D+00 0.13441965D+01 0.17497445D+01 0.14930602D+01 0.51551779D+00 -0.16684379D-01 -0.76898152D-02 0.21563045D-01 -0.95150233D-03 -0.72955163D-03 -0.36409740D-03 0.11813055D-02 0.90575012D-03 0.45203279D-03 -0.46252776D-05 -0.35463695D-05 -0.17698869D-05 -0.25061414D-02 -0.56441811D-03 0.96059948D-03 0.34807614D-05 -0.82063094D-02 -0.77717716D-02 -0.87995601D-02 -0.86439069D-03 -0.97579674D-06 -0.35276393D-05 0.14753553D-02 0.27217424D-02 0.43937361D-02 0.57193389D-02 0.48803223D-02 0.16850580D-02 0.17366997D-03 0.80044328D-04 -0.22445265D-03 0.27058159D-03 0.20746480D-03 0.10353948D-03 0.77531100D-04 0.59445930D-04 0.29667685D-04 0.26601566D-05 0.20396394D-05 0.10179230D-05 0.15319373D-02 -0.35519656D-03 -0.57311303D-03 0.20758417D-05 -0.34509142D-03 -0.23533322D-03 -0.22908981D-03 0.21441369D-03 0.13453991D-05 -0.18123818D-05 0.92753333D-05 0.17111179D-04 0.27622748D-04 0.35956611D-04 0.30681841D-04 0.10593702D-04 -0.24692073D-04 -0.11380554D-04 0.31912261D-04 0.33992025D-04 0.26062929D-04 0.13007228D-04 -0.89491946D-04 -0.68616748D-04 -0.34244566D-04 -0.16792972D-06 -0.12875786D-06 -0.64259196D-07 -0.39069217D-03 0.13859654D-03 -0.27560237D-03 -0.11926034D-05 0.90807117D-05 0.15133665D-04 0.13812080D-04 -0.14125586D-04 -0.19574450D-05 -0.24659891D-05 -0.94968863D-03 -0.17519901D-02 -0.28282552D-02 -0.36815479D-02 -0.31414715D-02 -0.10846746D-02 -0.54048174D-04 -0.24910754D-04 0.69852355D-04 -0.14148967D-03 -0.10848530D-03 -0.54141769D-04 0.10723342D-04 0.82219789D-05 0.41033437D-05 -0.36757485D-05 -0.28183308D-05 -0.14065446D-05 -0.61298635D-03 0.10303152D-03 -0.19381837D-03 0.71782594D-06 0.22596911D-03 0.13678899D-03 0.84392087D-04 0.14871658D-03 -0.21581861D-05 -0.25624214D-06 -0.28240327D+00 -0.52097889D+00 -0.84102147D+00 -0.10947601D+01 -0.93416074D+00 -0.32254325D+00 0.10437726D-01 0.48107384D-02 -0.13489813D-01 0.62480538D-03 0.47906114D-03 0.23908508D-03 0.69123287D-03 0.52999352D-03 0.26450391D-03 0.30509194D-05 0.23392515D-05 0.11674504D-05 0.10550110D-02 0.28510743D-03 0.45535180D-03 -0.22261966D-05 0.51105541D-02 0.48812195D-02 0.54913847D-02 -0.61255540D-03 -0.17200218D-06 -0.20677387D-05 0.12597823D-01 0.23240524D-01 0.37517412D-01 0.48836522D-01 0.41672293D-01 0.14388441D-01 -0.36474905D-03 -0.16811250D-03 0.47140501D-03 -0.88525308D-04 -0.67875591D-04 -0.33874677D-04 -0.40414591D-03 -0.30987345D-03 -0.15464857D-03 0.66585839D-07 0.51053798D-07 0.25479423D-07 0.61410382D-03 0.28090858D-03 0.25369223D-03 -0.16028996D-05 -0.31956591D-03 -0.43124994D-03 -0.34965800D-03 0.14526281D-05 -0.33697681D-06 0.36693837D-07 0.20282922D-04 0.34403675D-04 0.39167368D-04 0.18875505D-03 -0.21571094D-05 -0.36588659D-05 -0.41654895D-05 -0.54558873D-04 -0.19855816D-03 -0.36630001D-03 -0.59331046D-03 -0.78196831D-03 -0.67127897D-03 -0.22817536D-03 0.10296846D-02 0.46252746D-03 -0.13703752D-02 -0.24434368D-03 -0.18859960D-03 -0.80062974D-04 -0.63543631D-03 -0.49046914D-03 -0.20821051D-03 -0.51072280D-05 -0.39420752D-05 -0.16734620D-05 0.15738917D-02 0.29821179D-03 0.59102544D-03 0.20583946D-05 -0.90351142D-03 -0.41518149D-03 -0.11975621D-02 0.77258572D-03 0.14177613D-07 0.28725708D-05 -0.36408668D-04 -0.67166694D-04 -0.10879252D-03 -0.14338582D-03 -0.12308924D-03 -0.41839433D-04 0.15512959D-03 0.69683181D-04 -0.20645716D-03 -0.18207680D-04 -0.14053816D-04 -0.59660270D-05 0.14813313D-03 0.11433833D-03 0.48538103D-04 -0.58092487D-06 -0.44839383D-06 -0.19034899D-06 0.26312115D-03 0.13503456D-04 -0.80436273D-04 0.30924915D-06 -0.16194563D-03 -0.13727887D-03 -0.14833209D-03 0.66774669D-04 0.36030387D-06 -0.14125624D-05 0.28719134D-03 0.52981045D-03 0.85815472D-03 0.11310264D-02 0.97092712D-03 0.33002918D-03 -0.15186690D-02 -0.68217601D-03 0.20211495D-02 0.43037411D-03 0.33218942D-03 0.14101871D-03 -0.83957548D-03 -0.64803641D-03 -0.27509985D-03 0.69450738D-05 0.53606385D-05 0.22756605D-05 -0.23609030D-02 -0.47582143D-03 0.84804278D-03 -0.29027566D-05 0.12949723D-02 0.59115560D-03 0.17535601D-02 0.12059262D-02 -0.36978601D-06 0.39426470D-05 -0.62925209D-05 -0.11608472D-04 -0.18739674D-04 -0.24393487D-04 -0.20815007D-04 -0.71869216D-05 0.16647472D-04 0.76728044D-05 -0.21515345D-04 0.45959739D-05 0.35239013D-05 0.17586737D-05 -0.56519249D-05 -0.43335375D-05 -0.21627389D-05 -0.10686659D-05 -0.81938525D-06 -0.40893067D-06 0.49829900D-05 -0.56433959D-05 0.75922370D-04 0.20734772D-05 0.27882902D-05 -0.16117952D-04 -0.17315756D-04 -0.13039405D-03 0.22698825D-06 -0.51068521D-04 -0.20428810D-05 -0.34651129D-05 -0.39449085D-05 -0.25143225D-05 0.54914717D-05 0.93145754D-05 0.10604315D-04 0.22237317D-04 -0.91209100D-05 -0.15470790D-04 -0.17612947D-04 -0.22321185D-04 MO 6 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -10.284850 -0.39387073D-01 -0.72661460D-01 -0.11729813D+00 -0.15268731D+00 -0.13028836D+00 -0.44985438D-01 0.17779401D-02 0.81945098D-03 -0.22978261D-02 0.22791856D-03 0.17475350D-03 0.87214242D-04 0.13237905D-03 0.10149986D-03 0.50655545D-04 -0.10453636D-05 -0.80151847D-06 -0.40001389D-06 0.26740638D-02 0.40026073D-03 -0.11322878D-02 -0.10013893D-05 0.19825301D-03 0.27696326D-03 0.46224911D-03 -0.14608792D-03 0.25171802D-05 0.21268093D-05 -0.11091735D-03 -0.20462085D-03 -0.33032150D-03 -0.42998044D-03 -0.36690309D-03 -0.12668282D-03 -0.87280335D-04 -0.40227427D-04 0.11280190D-03 0.10057848D-03 0.77117202D-04 0.38486888D-04 0.84530201D-05 0.64812397D-05 0.32345928D-05 0.24017321D-06 0.18414959D-06 0.91903549D-07 -0.14635746D-02 0.32514191D-03 0.60689561D-03 -0.38688106D-05 0.15600482D-03 0.37429562D-04 0.65133236D-04 0.26535527D-04 -0.49251522D-06 0.79064710D-06 -0.67127013D-04 -0.12383623D-03 -0.19991007D-03 -0.26022352D-03 -0.22204920D-03 -0.76668252D-04 0.14430543D-03 0.66510241D-04 -0.18650166D-03 0.80170755D-04 0.61469850D-04 0.30677763D-04 0.18618265D-06 0.14275305D-06 0.71243776D-07 -0.38949906D-06 -0.29864318D-06 -0.14904388D-06 0.12653342D-02 -0.64828548D-03 -0.32210059D-06 0.26276884D-05 -0.43249797D-04 0.51948200D-04 -0.13388370D-03 0.69640305D-07 0.15596585D-06 -0.29479517D-08 -0.11017778D-03 -0.20325649D-03 -0.32811900D-03 -0.42711345D-03 -0.36445668D-03 -0.12583813D-03 -0.87277565D-04 -0.40226150D-04 0.11279832D-03 0.10061161D-03 0.77142602D-04 0.38499565D-04 -0.84828297D-05 -0.65040957D-05 -0.32459996D-05 0.22865152D-06 0.17531548D-06 0.87494713D-07 -0.14634463D-02 0.32499990D-03 -0.60685544D-03 -0.38629218D-05 0.15582951D-03 0.37223510D-04 0.65035001D-04 -0.26604846D-04 -0.49072645D-06 -0.78099374D-06 -0.39142214D-01 -0.72209741D-01 -0.11656891D+00 -0.15173809D+00 -0.12947838D+00 -0.44705775D-01 0.17687656D-02 0.81522246D-03 -0.22859689D-02 0.22746635D-03 0.17440677D-03 0.87041202D-04 -0.13291714D-03 -0.10191243D-03 -0.50861447D-04 -0.10434688D-05 -0.80006566D-06 -0.39928884D-06 0.26724566D-02 0.39985292D-03 0.11318120D-02 -0.99986203D-06 0.19362306D-03 0.27267312D-03 0.45743567D-03 0.14685634D-03 0.25190941D-05 -0.21225160D-05 0.52972012D+00 0.97723019D+00 0.15775525D+01 0.20535047D+01 0.17522592D+01 0.60501301D+00 -0.19740083D-01 -0.90981862D-02 0.25512264D-01 -0.16649967D-02 -0.12766138D-02 -0.63711977D-03 -0.34566719D-06 -0.26503568D-06 -0.13227138D-06 -0.19518820D-05 -0.14965793D-05 -0.74689796D-06 -0.41684668D-02 -0.17825394D-02 -0.48578501D-06 0.10228278D-04 -0.87977836D-02 -0.98655784D-02 -0.10327369D-01 0.75774791D-06 -0.67088814D-05 -0.43171754D-08 -0.30428737D-04 -0.51612898D-04 -0.58759460D-04 -0.15158558D-03 -0.30409569D-04 -0.51580384D-04 -0.58722444D-04 -0.15160146D-03 -0.14970417D-03 -0.27617419D-03 -0.44733014D-03 -0.58956992D-03 -0.50611499D-03 -0.17203425D-03 0.69331857D-03 0.31143408D-03 -0.92271616D-03 -0.20275988D-03 -0.15650265D-03 -0.66437401D-04 -0.41865753D-04 -0.32314584D-04 -0.13717960D-04 -0.13901545D-05 -0.10730075D-05 -0.45550557D-06 0.11719948D-02 0.15592743D-03 0.11948033D-03 0.77568424D-06 -0.63272470D-03 -0.52262822D-03 -0.68578882D-03 0.11436276D-03 0.10051586D-05 0.10015167D-05 0.35310388D-03 0.65140588D-03 0.10551076D-02 0.13906054D-02 0.11937621D-02 0.40577332D-03 -0.18585090D-02 -0.83482986D-03 0.24734319D-02 0.10383476D-02 0.80146108D-03 0.34023061D-03 0.14788480D-06 0.11414666D-06 0.48456735D-07 0.47963536D-05 0.37021231D-05 0.15715992D-05 -0.29552334D-02 -0.11117152D-02 -0.18410577D-06 -0.24988848D-06 0.39843921D-03 0.19794391D-02 0.21035384D-02 -0.56607443D-06 0.59126038D-05 0.54663216D-09 -0.14985758D-03 -0.27645720D-03 -0.44778854D-03 -0.59017407D-03 -0.50663363D-03 -0.17221054D-03 0.69413746D-03 0.31180193D-03 -0.92380600D-03 -0.20295472D-03 -0.15665304D-03 -0.66501244D-04 0.42282608D-04 0.32636338D-04 0.13854548D-04 -0.13997763D-05 -0.10804341D-05 -0.45865830D-06 0.11732512D-02 0.15616392D-03 -0.11994559D-03 0.78071448D-06 -0.63342092D-03 -0.52290361D-03 -0.68673939D-03 -0.11502389D-03 0.10091053D-05 -0.10057788D-05 0.11947769D-05 0.22041301D-05 0.35581494D-05 0.46316533D-05 0.39521982D-05 0.13645991D-05 0.53573307D-05 0.24691888D-05 -0.69238633D-05 -0.59392712D-04 -0.45538565D-04 -0.22726935D-04 -0.22513047D-06 -0.17261577D-06 -0.86147366D-07 0.36489175D-05 0.27977585D-05 0.13962776D-05 0.22446788D-03 -0.62584296D-04 0.29276339D-06 -0.81274866D-05 0.62572680D-05 0.15641991D-04 0.23413467D-05 0.22535545D-08 0.34626384D-05 -0.51475926D-07 -0.15504200D-05 -0.26298057D-05 -0.29939408D-05 0.41506040D-06 -0.24444488D-05 -0.41462478D-05 -0.47203566D-05 -0.80704911D-05 -0.24840884D-05 -0.42134841D-05 -0.47969027D-05 -0.84019346D-05 MO 7 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -10.221760 -0.23473528D-04 -0.43304075D-04 -0.69906204D-04 -0.90997106D-04 -0.77647996D-04 -0.26809987D-04 -0.38719172D-04 -0.17845631D-04 0.50041013D-04 -0.14882487D-04 -0.11410947D-04 -0.56948624D-05 -0.22729763D-05 -0.17427741D-05 -0.86976641D-06 -0.60857965D-06 -0.46662027D-06 -0.23287622D-06 -0.72639165D-03 -0.19482315D-03 0.25911274D-03 0.21943219D-05 0.95430891D-04 0.25766631D-04 0.43207372D-04 -0.17745027D-04 0.27292651D-06 0.29604864D-06 0.88725191D-02 0.16368065D-01 0.26423132D-01 0.34395067D-01 0.29349373D-01 0.10133633D-01 -0.87804312D-04 -0.40468927D-04 0.11347910D-03 -0.19163971D-03 -0.14693718D-03 -0.73331949D-04 0.43534405D-03 0.33379420D-03 0.16658670D-03 0.29547737D-05 0.22655331D-05 0.11306598D-05 0.15425675D-02 -0.54981489D-04 -0.57789376D-03 -0.75359123D-06 -0.51997343D-03 -0.61636060D-03 -0.40488846D-03 0.26236820D-03 0.74179352D-06 0.14690737D-05 0.53236618D+00 0.98211165D+00 0.15854327D+01 0.20637623D+01 0.17610121D+01 0.60803517D+00 -0.19798451D-01 -0.91250880D-02 0.25587699D-01 -0.20504799D-03 -0.15721779D-03 -0.78462697D-04 0.55210930D-06 0.42332239D-06 0.21126754D-06 0.23575508D-04 0.18076204D-04 0.90212926D-05 -0.36783887D-02 0.50031605D-03 -0.37274822D-05 0.47899051D-05 -0.10166984D-01 -0.99830100D-02 -0.10396087D-01 0.10188439D-06 0.37183754D-04 -0.22467759D-07 0.88508222D-02 0.16328039D-01 0.26358517D-01 0.34310958D-01 0.29277602D-01 0.10108852D-01 -0.87843141D-04 -0.40486824D-04 0.11352928D-03 -0.19207714D-03 -0.14727257D-03 -0.73499333D-04 -0.43529700D-03 -0.33375813D-03 -0.16656870D-03 0.28233602D-05 0.21647736D-05 0.10803737D-05 0.15367872D-02 -0.57153638D-04 0.57481300D-03 -0.68780426D-06 -0.51989948D-03 -0.61650086D-03 -0.40390640D-03 -0.26390727D-03 0.80632213D-06 -0.14745743D-05 -0.23463516D-04 -0.43285605D-04 -0.69876387D-04 -0.90958294D-04 -0.77614877D-04 -0.26798552D-04 -0.38331229D-04 -0.17666829D-04 0.49539632D-04 -0.14318884D-04 -0.10978812D-04 -0.54791968D-05 0.18162174D-05 0.13925603D-05 0.69498518D-06 -0.56809729D-06 -0.43558097D-06 -0.21738543D-06 -0.72517081D-03 -0.19545977D-03 -0.25729689D-03 0.21661873D-05 0.95522628D-04 0.25623941D-04 0.42814274D-04 0.17527147D-04 0.23552170D-06 -0.28845525D-06 0.77296588D-05 0.14259711D-04 0.23019595D-04 0.29964673D-04 0.25568910D-04 0.88283301D-05 0.83839007D-04 0.38641322D-04 -0.10835430D-03 -0.20395410D-04 -0.15637907D-04 -0.78044115D-05 0.27457671D-06 0.21052800D-06 0.10506823D-06 0.38482406D-06 0.29505868D-06 0.14725496D-06 0.59004692D-03 0.33038112D-03 0.87615766D-06 -0.27763050D-05 -0.30258347D-04 -0.29570214D-04 -0.87370909D-04 0.23838600D-06 -0.10574045D-05 -0.24609703D-07 -0.18357960D-07 -0.31138574D-07 -0.35450166D-07 0.10106525D-03 0.78723719D-07 0.13353033D-06 0.15201956D-06 0.10044113D-03 0.11918376D-04 0.21987014D-04 0.35613227D-04 0.46937341D-04 0.40293256D-04 0.13696136D-04 -0.55547250D-04 -0.24951455D-04 0.73926111D-04 -0.88195912D-04 -0.68075073D-04 -0.28898750D-04 -0.52279375D-05 -0.40352463D-05 -0.17130143D-05 0.24956800D-05 0.19263206D-05 0.81774804D-06 -0.13680100D-03 0.39064602D-04 -0.49589741D-05 -0.12133759D-05 0.73122860D-04 0.38235792D-04 0.27260169D-04 0.40174321D-04 -0.63968499D-06 -0.12265005D-05 -0.46204280D-04 -0.85237635D-04 -0.13806273D-03 -0.18196322D-03 -0.15620592D-03 -0.53096171D-04 0.19930690D-03 0.89527334D-04 -0.26525137D-03 -0.25525239D-04 -0.19701962D-04 -0.83637381D-05 0.47604691D-06 0.36744252D-06 0.15598411D-06 -0.20445996D-05 -0.15781488D-05 -0.66994460D-06 0.36127217D-03 0.37869958D-04 -0.24146215D-06 0.89741792D-06 -0.19985504D-03 -0.19598146D-03 -0.17587009D-03 -0.20747031D-06 0.11451524D-05 -0.57466560D-08 0.12166759D-04 0.22445231D-04 0.36355419D-04 0.47915531D-04 0.41132981D-04 0.13981568D-04 -0.56617784D-04 -0.25432331D-04 0.75350851D-04 -0.88414782D-04 -0.68244011D-04 -0.28970467D-04 0.49003486D-05 0.37823928D-05 0.16056748D-05 0.25597947D-05 0.19758082D-05 0.83875619D-06 -0.13871766D-03 0.38899826D-04 0.51770788D-05 -0.12383231D-05 0.74211074D-04 0.39259406D-04 0.28207431D-04 -0.40135418D-04 -0.64761300D-06 0.12543338D-05 0.27779393D-02 0.51247557D-02 0.82729446D-02 0.10768916D-01 0.91891354D-02 0.31727876D-02 -0.66570217D-04 -0.30682152D-04 0.86035957D-04 0.39725901D-03 0.30459301D-03 0.15201326D-03 -0.37966329D-05 -0.29110173D-05 -0.14528017D-05 0.10340655D-03 0.79285582D-04 0.39569062D-04 0.36329829D-03 -0.19601631D-03 0.33780060D-05 -0.64795645D-04 -0.59594957D-03 -0.18635485D-03 -0.87870106D-04 -0.97445659D-06 -0.31478213D-04 -0.63150252D-06 -0.35088914D-04 -0.59517439D-04 -0.67758500D-04 0.11726520D-03 -0.20273245D-04 -0.34387261D-04 -0.39148682D-04 -0.44560404D-05 -0.20012657D-04 -0.33945254D-04 -0.38645472D-04 -0.88496746D-05 MO 8 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -10.206093 -0.19416258D-02 -0.35819205D-02 -0.57823304D-02 -0.75268760D-02 -0.64226970D-02 -0.22176029D-02 0.31694812D-03 0.14608110D-03 -0.40962665D-03 -0.43929809D-03 -0.33682591D-03 -0.16809974D-03 -0.19560499D-04 -0.14997750D-04 -0.74849285D-05 0.31713457D-05 0.24315867D-05 0.12135322D-05 0.16527097D-02 0.47187918D-03 -0.34826055D-03 -0.31075397D-05 -0.53077883D-03 -0.29041825D-03 -0.19487986D-03 -0.95913987D-04 0.37410094D-05 0.13730237D-05 0.51926395D+00 0.95794059D+00 0.15464131D+01 0.20129704D+01 0.17176713D+01 0.59307063D+00 -0.19503664D-01 -0.89892208D-02 0.25206713D-01 -0.41954932D-03 -0.32168381D-03 -0.16054277D-03 -0.31032008D-03 -0.23793376D-03 -0.11874562D-03 0.78863993D-05 0.60467908D-05 0.30177724D-05 -0.35895555D-02 0.34636193D-03 0.65969732D-03 -0.29043631D-05 -0.99801201D-02 -0.10145727D-01 -0.10384049D-01 -0.10753930D-03 -0.50177338D-05 -0.33744055D-05 -0.68842284D-02 -0.12700057D-01 -0.20501830D-01 -0.26687291D-01 -0.22772314D-01 -0.78627327D-02 0.44759208D-03 0.20629478D-03 -0.57847210D-03 0.25890806D-03 0.19851428D-03 0.99072538D-04 -0.44400535D-03 -0.34043514D-03 -0.16990099D-03 0.26060104D-06 0.19981234D-06 0.99720364D-07 0.13187555D-02 -0.60254319D-03 0.39085239D-03 0.37401225D-06 -0.91603991D-04 -0.20978791D-03 -0.38667331D-04 0.13891512D-03 -0.24868572D-05 0.15042805D-05 -0.11767145D+00 -0.21708085D+00 -0.35043581D+00 -0.45616330D+00 -0.38924497D+00 -0.13439693D+00 0.43798669D-02 0.20186767D-02 -0.56605801D-02 0.75359399D-04 0.57780807D-04 0.28836672D-04 -0.10484203D-03 -0.80386220D-04 -0.40118358D-04 0.10662608D-05 0.81754111D-06 0.40801031D-06 0.37470573D-04 0.15090516D-03 -0.17814693D-03 -0.17422004D-05 0.23170810D-02 0.23857237D-02 0.23940662D-02 0.13864919D-04 0.24138238D-05 -0.24381619D-06 0.43943699D-03 0.81067543D-03 0.13086815D-02 0.17035145D-02 0.14536120D-02 0.50189729D-03 0.12845820D-04 0.59206267D-05 -0.16602055D-04 0.89972445D-04 0.68985164D-04 0.34428432D-04 -0.17485119D-04 -0.13406480D-04 -0.66907731D-05 -0.10024459D-05 -0.76861194D-06 -0.38359123D-06 0.30560845D-03 0.10513200D-03 0.16589130D-03 -0.21446863D-06 0.10471772D-03 0.37026292D-04 -0.40290061D-04 -0.28968113D-04 -0.15500294D-05 0.17184582D-06 0.19226311D-04 0.35468789D-04 0.57257624D-04 0.74532413D-04 0.63598643D-04 0.21959083D-04 -0.25802518D-04 -0.11892357D-04 0.33347410D-04 -0.26130837D-05 -0.20035468D-05 -0.99991030D-06 -0.11057977D-04 -0.84785558D-05 -0.42313935D-05 0.45751884D-06 0.35079643D-06 0.17507200D-06 -0.58350901D-03 -0.26635664D-03 -0.77260351D-04 0.15870077D-05 0.33209842D-04 0.77800048D-04 0.23262562D-04 0.11332117D-03 -0.64149381D-06 -0.17889281D-06 -0.94282863D-04 -0.15992158D-03 -0.18206507D-03 0.15293301D-03 0.36613864D-05 0.62104044D-05 0.70703259D-05 -0.13572863D-03 -0.29043023D-04 -0.53578556D-04 -0.86783284D-04 -0.11437819D-03 -0.98187706D-04 -0.33375119D-04 0.11707248D-03 0.52588179D-04 -0.15580813D-03 -0.10684061D-04 -0.82466205D-05 -0.35007973D-05 -0.34795989D-05 -0.26857702D-05 -0.11401442D-05 -0.21489173D-06 -0.16586676D-06 -0.70412589D-07 0.22572377D-03 0.89318451D-05 0.14836620D-04 0.11514354D-06 -0.14149258D-03 -0.13075450D-03 -0.97602577D-04 -0.28593506D-04 0.48456909D-06 -0.93400966D-07 0.49535054D-05 0.91382244D-05 0.14801540D-04 0.19508058D-04 0.16746649D-04 0.56923768D-05 -0.25950204D-04 -0.11656659D-04 0.34536320D-04 -0.55880391D-04 -0.43131950D-04 -0.18310072D-04 -0.12833359D-03 -0.99055819D-04 -0.42050479D-04 0.72843155D-06 0.56224863D-06 0.23868183D-06 -0.88399881D-04 0.19483720D-04 0.60372026D-04 -0.42277001D-06 0.35372313D-04 0.19217644D-04 -0.48881403D-05 0.71780865D-04 -0.67227886D-06 0.21058031D-06 -0.37654550D-04 -0.69465097D-04 -0.11251534D-03 -0.14829239D-03 -0.12730128D-03 -0.43271153D-04 0.19390179D-03 0.87099394D-04 -0.25805788D-03 0.46936646D-04 0.36228613D-04 0.15379516D-04 0.57342018D-04 0.44260124D-04 0.18788996D-04 -0.20142708D-05 -0.15547391D-05 -0.66000688D-06 0.28546905D-03 -0.29908531D-04 -0.40189623D-04 0.10189691D-05 -0.96858677D-04 -0.12414536D-03 -0.21608199D-03 -0.41516403D-04 -0.12783054D-05 -0.12183759D-05 -0.19782717D-03 -0.36495250D-03 -0.58914649D-03 -0.76689367D-03 -0.65439176D-03 -0.22594575D-03 0.41815656D-04 0.19272798D-04 -0.54042936D-04 -0.39279825D-04 -0.30117279D-04 -0.15030633D-04 -0.23655167D-04 -0.18137282D-04 -0.90517746D-05 -0.36108083D-05 -0.27685388D-05 -0.13816949D-05 0.19489986D-03 -0.68429723D-04 -0.41120060D-04 -0.18931842D-05 0.68639724D-04 0.33335002D-04 -0.13072166D-04 0.27050779D-04 0.74491216D-05 0.13310623D-04 -0.42273362D-05 -0.71703624D-05 -0.81632041D-05 0.24038736D-05 -0.38257011D-05 -0.64891132D-05 -0.73876260D-05 -0.49115798D-05 -0.36828835D-05 -0.62468674D-05 -0.71118378D-05 0.10210172D-04 MO 9 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -10.206069 -0.44049200D-03 -0.81262174D-03 -0.13118234D-02 -0.17076043D-02 -0.14571019D-02 -0.50310226D-03 0.16563694D-03 0.76341915D-04 -0.21407070D-03 -0.11018793D-03 -0.84485118D-04 -0.42163995D-04 0.99758339D-05 0.76488367D-05 0.38173056D-05 0.42329423D-06 0.32455517D-06 0.16197578D-06 0.11278755D-02 0.34199887D-03 -0.35000903D-03 -0.17391786D-05 -0.13730314D-03 -0.97656012D-04 -0.13772130D-03 -0.13639417D-04 0.69111086D-07 0.47053151D-06 0.11756118D+00 0.21687742D+00 0.35010741D+00 0.45573581D+00 0.38888020D+00 0.13427099D+00 -0.44598558D-02 -0.20555435D-02 0.57639585D-02 -0.11678515D-03 -0.89543444D-04 -0.44688454D-04 -0.31912888D-04 -0.24468779D-04 -0.12211635D-04 0.49336791D-05 0.37828322D-05 0.18878984D-05 -0.16722273D-02 0.33272901D-03 0.51223797D-03 -0.33034661D-05 -0.21980910D-02 -0.22011594D-02 -0.23057526D-02 -0.66649712D-04 0.30626221D-06 -0.13461377D-05 -0.10887089D-01 -0.20084553D-01 -0.32422695D-01 -0.42204716D-01 -0.36013360D-01 -0.12434548D-01 0.70839552D-03 0.32649885D-03 -0.91553685D-03 0.41041257D-03 0.31467833D-03 0.15704654D-03 0.28002940D-03 0.21470878D-03 0.10715473D-03 0.47014329D-06 0.36047606D-06 0.17990282D-06 0.20904850D-02 -0.95486944D-03 -0.24680609D-03 0.58960281D-06 -0.14565380D-03 -0.33321499D-03 -0.61749229D-04 -0.87626908D-04 -0.38313370D-05 -0.95368941D-06 0.51923928D+00 0.95789509D+00 0.15463397D+01 0.20128748D+01 0.17175897D+01 0.59304246D+00 -0.19522080D-01 -0.89977091D-02 0.25230515D-01 -0.42846098D-03 -0.32851670D-03 -0.16395286D-03 0.29336702D-03 0.22493523D-03 0.11225844D-03 0.91449259D-05 0.70117492D-05 0.34993543D-05 -0.39598764D-02 0.45609835D-03 -0.81588609D-03 -0.40057233D-05 -0.99533563D-02 -0.10104420D-01 -0.10364279D-01 0.12539827D-03 -0.43887545D-05 0.36578914D-05 -0.19430887D-02 -0.35846193D-02 -0.57866870D-02 -0.75325471D-02 -0.64275361D-02 -0.22192738D-02 0.35760161D-03 0.16481825D-03 -0.46216759D-03 -0.44399228D-03 -0.34042512D-03 -0.16989599D-03 0.13266780D-04 0.10172125D-04 0.50766034D-05 0.30757904D-05 0.23583210D-05 0.11769675D-05 0.19776901D-02 0.57320578D-03 0.46522608D-03 -0.35775502D-05 -0.53772389D-03 -0.30419219D-03 -0.23520463D-03 0.92230131D-04 0.33795703D-05 -0.14389478D-05 0.30490336D-04 0.56248716D-04 0.90802869D-04 0.11819836D-03 0.10085887D-03 0.34824144D-04 -0.40918916D-04 -0.18859491D-04 0.52883982D-04 -0.41500925D-05 -0.31820277D-05 -0.15880548D-05 0.69973381D-05 0.53651150D-05 0.26775684D-05 0.71453493D-06 0.54786006D-06 0.27342057D-06 -0.92503278D-03 -0.42237473D-03 0.48694317D-04 0.25351681D-05 0.52661626D-04 0.12325517D-03 0.36905547D-04 -0.71496919D-04 -0.10099119D-05 0.10241164D-06 -0.40964269D-04 -0.69483154D-04 -0.79104115D-04 -0.77361879D-04 -0.10272608D-03 -0.17424288D-03 -0.19836936D-03 0.10468459D-03 -0.55606487D-04 -0.10258282D-03 -0.16615741D-03 -0.21899130D-03 -0.18799260D-03 -0.63900823D-04 0.27082913D-03 0.12165464D-03 -0.36043808D-03 0.46950128D-04 0.36239019D-04 0.15383933D-04 -0.65175091D-04 -0.50306176D-04 -0.21355624D-04 -0.23803264D-05 -0.18372835D-05 -0.77995065D-06 0.42422403D-03 -0.28878774D-04 0.51639978D-04 0.12023488D-05 -0.17493064D-03 -0.20005028D-03 -0.28609885D-03 0.32426690D-04 -0.11773834D-05 0.13226385D-05 0.78523607D-05 0.14486031D-04 0.23463592D-04 0.30924426D-04 0.26547005D-04 0.90236292D-05 -0.41135989D-04 -0.18478012D-04 0.54746611D-04 -0.88675335D-04 -0.68445121D-04 -0.29055841D-04 0.80999312D-04 0.62520291D-04 0.26540673D-04 0.11766626D-05 0.90822115D-06 0.38555164D-06 -0.14017734D-03 0.30921122D-04 -0.38115142D-04 -0.68025236D-06 0.56119002D-04 0.30447072D-04 -0.77830983D-05 -0.45311332D-04 -0.10770479D-05 -0.13532855D-06 -0.50167858D-04 -0.92549641D-04 -0.14990628D-03 -0.19757271D-03 -0.16960586D-03 -0.57650961D-04 0.22233636D-03 0.99872013D-04 -0.29590056D-03 0.10632500D-04 0.82068227D-05 0.34839026D-05 0.31271078D-04 0.24136957D-04 0.10246451D-04 -0.12258709D-05 -0.94620313D-06 -0.40167549D-06 0.38645755D-03 -0.44242818D-05 -0.35658855D-04 0.62505137D-06 -0.20307523D-03 -0.20416726D-03 -0.21136532D-03 0.11874290D-04 -0.67045990D-07 -0.48743406D-06 -0.30998767D-03 -0.57186671D-03 -0.92317019D-03 -0.12016933D-02 -0.10254071D-02 -0.35404842D-03 0.65306157D-04 0.30099548D-04 -0.84402275D-04 -0.61470022D-04 -0.47131314D-04 -0.23521829D-04 0.14642022D-04 0.11226574D-04 0.56028470D-05 -0.54289168D-05 -0.41625490D-05 -0.20774037D-05 0.30554326D-03 -0.10888997D-03 0.26236992D-04 -0.31694568D-05 0.11051149D-03 0.54853352D-04 -0.19622674D-04 -0.17057714D-04 0.11819132D-04 -0.87402340D-05 -0.67855696D-05 -0.11509610D-04 -0.13103285D-04 0.53333058D-05 -0.59065520D-05 -0.10018630D-04 -0.11405856D-04 0.10007375D-04 -0.60358495D-05 -0.10237943D-04 -0.11655536D-04 0.19393293D-08 MO 10 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -10.198855 -0.14775992D-04 -0.27258819D-04 -0.44004186D-04 -0.57280376D-04 -0.48877448D-04 -0.16876208D-04 0.72595210D-04 0.33459066D-04 -0.93822714D-04 -0.12501196D-04 -0.95851243D-05 -0.47836488D-05 -0.20924026D-04 -0.16043216D-04 -0.80066892D-05 0.16802812D-04 0.12883330D-04 0.64296848D-05 0.39330228D-03 0.19845894D-03 -0.71338292D-04 -0.15129180D-04 0.26889633D-04 -0.31706758D-04 -0.80356474D-04 -0.19351461D-04 -0.57659749D-05 0.12586157D-05 0.20995977D-03 0.38733477D-03 0.62527842D-03 0.81392671D-03 0.69452514D-03 0.23980284D-03 0.33082676D-05 0.15247775D-05 -0.42756353D-05 -0.14033816D-03 -0.10760240D-03 -0.53701138D-04 -0.13381549D-04 -0.10260123D-04 -0.51205206D-05 -0.28107979D-04 -0.21551416D-04 -0.10755667D-04 -0.28280355D-03 0.18337149D-03 0.23246019D-04 0.16055622D-04 -0.67046045D-04 0.10894632D-03 -0.54319533D-04 -0.10421350D-05 0.16829083D-04 -0.81577485D-05 -0.28993060D-02 -0.53486534D-02 -0.86343851D-02 -0.11239404D-01 -0.95906037D-02 -0.33114050D-02 0.18449753D-03 0.85034741D-04 -0.23844629D-03 -0.30931967D-03 -0.23716671D-03 -0.11836281D-03 -0.18392928D-05 -0.14102531D-05 -0.70381512D-06 0.19147092D-04 0.14680775D-04 0.73267358D-05 0.87480117D-03 0.36672354D-03 0.53252149D-05 -0.80990289D-05 -0.42633484D-03 -0.11685330D-03 -0.10054895D-03 -0.25821794D-05 0.12385261D-04 0.52551050D-07 0.20779915D-03 0.38334885D-03 0.61884390D-03 0.80555089D-03 0.68737803D-03 0.23733512D-03 0.30611434D-05 0.14108782D-05 -0.39562497D-05 -0.14052220D-03 -0.10774351D-03 -0.53771562D-04 0.13282419D-04 0.10184116D-04 0.50825877D-05 -0.28008765D-04 -0.21475344D-04 -0.10717702D-04 -0.28473371D-03 0.19210654D-03 -0.18102725D-04 0.15986372D-04 -0.66380418D-04 0.11157780D-03 -0.53222232D-04 0.30862892D-05 0.16887486D-04 0.81541430D-05 -0.14810280D-04 -0.27322075D-04 -0.44106301D-04 -0.57413299D-04 -0.48990872D-04 -0.16915371D-04 0.72868523D-04 0.33585036D-04 -0.94175946D-04 -0.13577212D-04 -0.10410145D-04 -0.51953918D-05 0.21474018D-04 0.16464915D-04 0.82171466D-05 0.16804693D-04 0.12884773D-04 0.64304047D-05 0.39538413D-03 0.20699220D-03 0.66824711D-04 -0.15180594D-04 0.27167265D-04 -0.32336169D-04 -0.80830001D-04 0.20070264D-04 -0.57576185D-05 -0.12584596D-05 -0.14957585D-05 -0.27593823D-05 -0.44544986D-05 -0.57984337D-05 -0.49478140D-05 -0.17083613D-05 0.21943379D-05 0.10113683D-05 -0.28359824D-05 0.18010342D-05 0.13809188D-05 0.68917526D-06 0.35036423D-06 0.26863707D-06 0.13406873D-06 -0.63937575D-05 -0.49023277D-05 -0.24466051D-05 -0.85616075D-04 -0.12253739D-03 -0.43494664D-05 0.11223143D-04 -0.25283103D-04 0.32260458D-04 -0.20749581D-04 -0.44229350D-06 0.32257092D-05 0.14157113D-07 -0.13683995D-04 -0.23210645D-04 -0.26424499D-04 -0.28201776D-04 -0.13985511D-04 -0.23722073D-04 -0.27006742D-04 -0.26298758D-04 -0.29236420D-04 -0.53935334D-04 -0.87361171D-04 -0.11513983D-03 -0.98841535D-04 -0.33597363D-04 0.12078427D-03 0.54255490D-04 -0.16074804D-03 0.34487940D-04 0.26619930D-04 0.11300505D-04 -0.66539081D-04 -0.51358988D-04 -0.21802556D-04 -0.20365438D-04 -0.15719308D-04 -0.66730498D-05 0.19526252D-03 -0.26256730D-04 0.37116716D-04 0.86175199D-05 -0.13755260D-03 -0.10947693D-03 -0.13315051D-03 -0.35545536D-04 0.35790529D-05 0.90598962D-05 0.47275970D-05 0.87214689D-05 0.14126504D-04 0.18618379D-04 0.15982906D-04 0.54327716D-05 -0.25327376D-04 -0.11376889D-04 0.33707418D-04 -0.40275441D-04 -0.31087082D-04 -0.13196869D-04 -0.89273515D-06 -0.68906833D-06 -0.29251844D-06 0.12277612D-04 0.94766222D-05 0.40229489D-05 -0.85705903D-04 -0.32862096D-06 0.79304616D-06 -0.56467742D-05 0.30176554D-04 0.29224779D-04 -0.15559900D-04 0.66188419D-06 -0.66538910D-05 0.34016936D-08 -0.29282196D-04 -0.54019781D-04 -0.87497954D-04 -0.11532011D-03 -0.98996293D-04 -0.33649967D-04 0.12099049D-03 0.54348122D-04 -0.16102249D-03 0.32316300D-04 0.24943724D-04 0.10588934D-04 0.65274450D-04 0.50382868D-04 0.21388180D-04 -0.20364491D-04 -0.15718577D-04 -0.66727394D-05 0.19560080D-03 -0.24504252D-04 -0.36231125D-04 0.86111404D-05 -0.13703031D-03 -0.11038346D-03 -0.13329925D-03 0.34680184D-04 0.35827451D-05 -0.90520721D-05 0.53253983D+00 0.98243199D+00 0.15859499D+01 0.20644355D+01 0.17615865D+01 0.60823350D+00 -0.20036073D-01 -0.92346078D-02 0.25894804D-01 -0.17136956D-03 -0.13139531D-03 -0.65575467D-04 -0.32024671D-05 -0.24554487D-05 -0.12254410D-05 0.44291297D-04 0.33959757D-04 0.16948299D-04 -0.32933380D-02 0.19794395D-03 0.42480880D-06 -0.14172016D-04 -0.10277151D-01 -0.10153350D-01 -0.10141224D-01 0.20550474D-05 -0.24519455D-04 -0.16855839D-06 -0.30976005D-05 -0.52541168D-05 -0.59816262D-05 0.50616608D-03 -0.25642554D-05 -0.43494625D-05 -0.49517094D-05 0.47679296D-03 -0.28526112D-05 -0.48385685D-05 -0.55085393D-05 0.47646737D-03 MO 11 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -1.241193 -0.20015591D-01 -0.36924857D-01 -0.59608168D-01 -0.77592123D-01 -0.66209499D-01 -0.22860549D-01 -0.27207263D-01 -0.12539803D-01 0.35162916D-01 -0.45314874D-01 -0.34744572D-01 -0.17339976D-01 0.44904145D-01 0.34429650D-01 0.17182808D-01 0.25361599D-04 0.19445665D-04 0.97047499D-05 0.18967583D-02 -0.19082284D-02 -0.10005514D-02 0.91388047D-05 -0.36320755D-03 0.72318866D-02 -0.73652195D-02 -0.10304990D-01 -0.14426906D-04 -0.28322324D-04 -0.23659766D-02 -0.43647649D-02 -0.70460839D-02 -0.91719076D-02 -0.78264054D-02 -0.27022697D-02 -0.32916021D-02 -0.15170964D-02 0.42540967D-02 -0.10348115D-01 -0.79342783D-02 -0.39597610D-02 0.12249461D-02 0.93921096D-03 0.46873209D-03 0.51650867D-04 0.39602609D-04 0.19764478D-04 0.27296431D-02 -0.15729451D-02 0.10489620D-02 0.16724959D-04 0.27232583D-02 -0.15697296D-04 -0.44997494D-03 -0.15809003D-02 -0.35052901D-04 -0.11605986D-06 -0.48204999D-03 -0.88928810D-03 -0.14355867D-02 -0.18687074D-02 -0.15945714D-02 -0.55056718D-03 -0.92522300D-03 -0.42643443D-03 0.11957667D-02 -0.32151157D-02 -0.24651468D-02 -0.12302810D-02 -0.29403071D-05 -0.22544410D-05 -0.11251241D-05 0.26658256D-04 0.20439860D-04 0.10200923D-04 0.22287369D-02 0.15789232D-02 0.65877106D-05 -0.27524715D-04 0.24424797D-03 -0.26662518D-03 0.64293365D-04 -0.75195383D-06 -0.11342952D-04 0.29290553D-07 -0.23684362D-02 -0.43693022D-02 -0.70534086D-02 -0.91814422D-02 -0.78345413D-02 -0.27050788D-02 -0.32941737D-02 -0.15182816D-02 0.42574202D-02 -0.10357074D-01 -0.79411477D-02 -0.39631892D-02 -0.12308366D-02 -0.94372742D-03 -0.47098612D-03 0.51826869D-04 0.39737556D-04 0.19831825D-04 0.27369543D-02 -0.15684366D-02 -0.10447472D-02 0.16625964D-04 0.27256005D-02 -0.15091539D-04 -0.45084239D-03 0.15863262D-02 -0.35121228D-04 0.11125863D-06 -0.20032985D-01 -0.36956945D-01 -0.59659968D-01 -0.77659552D-01 -0.66267036D-01 -0.22880415D-01 -0.27230410D-01 -0.12550471D-01 0.35192831D-01 -0.45352085D-01 -0.34773103D-01 -0.17354215D-01 -0.44969856D-01 -0.34480033D-01 -0.17207953D-01 0.25710384D-04 0.19713092D-04 0.98382145D-05 0.18979081D-02 -0.19040231D-02 0.99822133D-03 0.91438674D-05 -0.36545464D-03 0.72385282D-02 -0.73723188D-02 0.10321019D-01 -0.14510354D-04 0.28187451D-04 -0.29556501D-01 -0.54525973D-01 -0.88021827D-01 -0.11457826D+00 -0.97769841D-01 -0.33757577D-01 -0.39374873D-01 -0.18147843D-01 0.50888446D-01 -0.92961307D-01 -0.71276834D-01 -0.35572135D-01 -0.30610687D-04 -0.23470333D-04 -0.11713341D-04 0.14871805D-03 0.11402757D-03 0.56907747D-04 0.45375441D-02 0.17678416D-02 -0.27839954D-05 -0.54766759D-05 0.14735110D-01 -0.47281997D-02 -0.11131043D-01 0.63727995D-05 -0.13669555D-03 0.28713410D-07 0.15420556D-03 0.26156182D-03 0.29777888D-03 -0.14896311D-03 0.15429070D-03 0.26170623D-03 0.29794329D-03 -0.14753849D-03 -0.10518540D+00 -0.19404598D+00 -0.31430387D+00 -0.41424463D+00 -0.35560738D+00 -0.12087500D+00 -0.17798095D+00 -0.79947859D-01 0.23686933D+00 0.10848999D+00 0.83739300D-01 0.35548418D-01 0.19920891D+00 0.15376178D+00 0.65273870D-01 0.79892690D-04 0.61666131D-04 0.26178072D-04 0.73053325D-01 0.49098767D-02 0.89158955D-02 0.39909641D-05 0.61095889D-02 0.11850819D-01 0.26792850D-02 0.90075621D-02 -0.26576360D-05 0.10352287D-04 -0.15622423D+00 -0.28820239D+00 -0.46681269D+00 -0.61524742D+00 -0.52815779D+00 -0.17952684D+00 -0.26311773D+00 -0.11819073D+00 0.35017522D+00 0.33842950D+00 0.26122087D+00 0.11089164D+00 0.57122718D-04 0.44090855D-04 0.18717139D-04 -0.93614069D-03 -0.72257142D-03 -0.30674093D-03 0.11046905D+00 0.15544227D-01 0.27688670D-05 -0.43596270D-04 0.20466755D-01 0.43589321D-02 0.32357614D-02 0.55110909D-05 -0.96948408D-04 -0.28248167D-09 -0.10507489D+00 -0.19384210D+00 -0.31397364D+00 -0.41380938D+00 -0.35523375D+00 -0.12074799D+00 -0.17779421D+00 -0.79863973D-01 0.23662079D+00 0.10838852D+00 0.83660982D-01 0.35515171D-01 -0.19900093D+00 -0.15360125D+00 -0.65205722D-01 0.80923756D-04 0.62461972D-04 0.26515916D-04 0.72975590D-01 0.49061737D-02 -0.89058856D-02 0.40496542D-05 0.61043725D-02 0.11837949D-01 0.26761233D-02 -0.89997077D-02 -0.25882755D-05 -0.10464636D-04 -0.10301897D-04 -0.19004988D-04 -0.30679944D-04 -0.39936171D-04 -0.34077607D-04 -0.11766179D-04 -0.21897851D-03 -0.10092699D-03 0.28300983D-03 0.61863871D-03 0.47433293D-03 0.23672537D-03 0.47595871D-05 0.36493495D-05 0.18212812D-05 -0.12282272D-03 -0.94172670D-04 -0.46998763D-04 -0.16511648D-02 0.51952293D-03 -0.61768750D-05 0.14215145D-03 -0.33611154D-03 0.61315613D-04 -0.44978771D-04 0.87200998D-06 -0.13839501D-05 0.28106004D-06 0.38984576D-04 0.66125220D-04 0.75281225D-04 -0.73001455D-04 0.36915609D-04 0.62615860D-04 0.71285943D-04 0.15652469D-03 0.36959352D-04 0.62690057D-04 0.71370414D-04 0.16440551D-03 MO 12 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -1.231217 -0.24846193D-01 -0.45836374D-01 -0.73994119D-01 -0.96318358D-01 -0.82188629D-01 -0.28377759D-01 -0.32819045D-01 -0.15126268D-01 0.42415634D-01 -0.51444766D-01 -0.39444583D-01 -0.19685612D-01 0.85487891D-01 0.65546692D-01 0.32712393D-01 -0.36839241D-04 -0.28245993D-04 -0.14096730D-04 0.28026527D-02 0.26425373D-02 -0.20440944D-02 -0.11286455D-04 -0.36988104D-02 0.79429182D-02 -0.10065695D-01 -0.22889171D-01 0.14146454D-04 -0.50346547D-05 -0.28926002D-02 -0.53362826D-02 -0.86144148D-02 -0.11213408D-01 -0.95684217D-02 -0.33037461D-02 -0.40401192D-02 -0.18620873D-02 0.52214870D-02 -0.12584253D-01 -0.96488068D-02 -0.48154308D-02 0.48631866D-02 0.37287830D-02 0.18609241D-02 0.55384369D-04 0.42465221D-04 0.21193121D-04 -0.28643088D-02 -0.10849857D-02 0.19600360D-02 0.40322620D-05 0.39424949D-02 -0.36432562D-03 -0.66669887D-03 -0.27384415D-02 -0.50231934D-04 0.19171911D-04 -0.28780508D-06 -0.53094417D-06 -0.85710852D-06 -0.11157006D-05 -0.95202937D-06 -0.32871286D-06 0.20382381D-06 0.93942208D-07 -0.26342376D-06 -0.17705326D-05 -0.13575321D-05 -0.67750366D-06 0.12961184D-02 0.99378135D-03 0.49596654D-03 0.47672690D-07 0.36552395D-07 0.18242207D-07 0.42078224D-05 0.71199982D-06 0.24817189D-02 -0.81521106D-07 0.10893777D-07 -0.44204717D-06 -0.34667614D-06 -0.60382347D-03 -0.71589755D-07 0.10143072D-04 0.28919535D-02 0.53350895D-02 0.86124886D-02 0.11210901D-01 0.95662823D-02 0.33030074D-02 0.40397124D-02 0.18618998D-02 -0.52209613D-02 0.12581572D-01 0.96467517D-02 0.48144052D-02 0.48672218D-02 0.37318769D-02 0.18624681D-02 -0.55405545D-04 -0.42481458D-04 -0.21201225D-04 0.28686939D-02 0.10803130D-02 0.19585460D-02 -0.39528954D-05 -0.39401863D-02 0.36395417D-03 0.66648056D-03 -0.27412427D-02 0.50218198D-04 0.19221915D-04 0.24837172D-01 0.45819732D-01 0.73967255D-01 0.96283388D-01 0.82158789D-01 0.28367456D-01 0.32806717D-01 0.15120586D-01 -0.42399701D-01 0.51417526D-01 0.39423697D-01 0.19675188D-01 0.85481815D-01 0.65542034D-01 0.32710068D-01 0.36348356D-04 0.27869614D-04 0.13908891D-04 -0.28068025D-02 -0.26467610D-02 -0.20434561D-02 0.11305517D-04 0.37013791D-02 -0.79406143D-02 0.10062783D-01 -0.22888348D-01 -0.14060990D-04 -0.47813589D-05 -0.14164656D-04 -0.26131025D-04 -0.42183577D-04 -0.54910483D-04 -0.46855215D-04 -0.16177980D-04 -0.19280010D-04 -0.88861389D-05 0.24917661D-04 -0.54238815D-04 -0.41586883D-04 -0.20754769D-04 0.30739282D-01 0.23568932D-01 0.11762549D-01 0.10490970D-06 0.80438104D-07 0.40144252D-07 0.14600760D-05 0.10563043D-05 0.38493845D-02 -0.18872710D-08 0.60796562D-05 -0.39726985D-05 -0.54256205D-05 0.51801332D-02 -0.54018063D-07 -0.73019404D-04 0.36116490D-03 0.61260402D-03 0.69742803D-03 0.27652207D-04 -0.36101239D-03 -0.61234534D-03 -0.69713353D-03 -0.28354292D-04 0.15576065D+00 0.28734718D+00 0.46542748D+00 0.61342175D+00 0.52659054D+00 0.17899412D+00 0.26135675D+00 0.11739971D+00 -0.34783158D+00 -0.16429374D+00 -0.12681210D+00 -0.53833378D-01 -0.27560208D+00 -0.21272677D+00 -0.90305270D-01 -0.61421984D-04 -0.47409295D-04 -0.20125860D-04 -0.11281277D+00 -0.76404507D-02 -0.13212356D-01 -0.89429342D-05 -0.70982666D-02 -0.15211787D-01 -0.32670483D-02 -0.14081018D-01 -0.71672039D-05 -0.94740381D-05 -0.81316656D-04 -0.15001293D-03 -0.24298181D-03 -0.32024394D-03 -0.27491270D-03 -0.93445956D-04 -0.13674938D-03 -0.61426912D-04 0.18199551D-03 0.16702124D-03 0.12891735D-03 0.54727086D-04 0.17141827D-01 0.13231125D-01 0.56167840D-02 -0.44935292D-06 -0.34683844D-06 -0.14723741D-06 0.58740548D-04 0.80346185D-05 0.82355085D-03 -0.19943418D-07 0.10334996D-04 0.14485616D-05 0.17475543D-05 0.13338165D-02 -0.45069859D-07 -0.13595492D-04 -0.15579907D+00 -0.28741805D+00 -0.46554227D+00 -0.61357304D+00 -0.52672042D+00 -0.17903826D+00 -0.26142132D+00 -0.11742872D+00 0.34791752D+00 0.16434798D+00 0.12685396D+00 0.53851151D-01 -0.27567058D+00 -0.21277964D+00 -0.90327715D-01 0.63085394D-04 0.48693218D-04 0.20670902D-04 0.11283935D+00 0.76434193D-02 -0.13215288D-01 0.90332844D-05 0.71016074D-02 0.15215131D-01 0.32673699D-02 -0.14085566D-01 0.72482273D-05 -0.96470521D-05 0.21216752D-06 0.39140764D-06 0.63185330D-06 0.82248525D-06 0.70182815D-06 0.24232440D-06 -0.89946111D-06 -0.41456080D-06 0.11624718D-05 0.89472178D-06 0.68601591D-06 0.34237002D-06 -0.22723459D-03 -0.17422907D-03 -0.86952518D-04 -0.33621340D-06 -0.25778711D-06 -0.12865383D-06 -0.31044451D-05 0.14830854D-06 -0.28580460D-03 0.33114808D-06 0.22607886D-06 -0.70500910D-06 0.11928641D-05 0.49949245D-03 -0.86574428D-08 0.60882244D-04 0.13542922D-06 0.22971358D-06 0.26152080D-06 -0.11960646D-05 -0.57017988D-05 -0.96713299D-05 -0.11010467D-04 -0.89764865D-04 0.61511697D-05 0.10433548D-04 0.11878226D-04 0.92767705D-04 MO 13 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -1.222393 0.15680913D-01 0.28928223D-01 0.46699121D-01 0.60788380D-01 0.51870835D-01 0.17909753D-01 0.20872801D-01 0.96202549D-02 -0.26976199D-01 0.26993178D-01 0.20696657D-01 0.10329082D-01 -0.71156550D-01 -0.54558329D-01 -0.27228430D-01 0.87486123D-04 0.67078810D-04 0.33477027D-04 -0.58370311D-02 -0.23216549D-02 0.22114297D-02 -0.19024582D-05 0.51540741D-02 -0.49953304D-02 0.65153889D-02 0.22758959D-01 -0.45937865D-04 -0.15173098D-04 0.21547612D-02 0.39751136D-02 0.64170659D-02 0.83531131D-02 0.71277265D-02 0.24610327D-02 0.27770417D-02 0.12799360D-02 -0.35890740D-02 0.87224363D-02 0.66878109D-02 0.33376864D-02 -0.33326402D-02 -0.25552571D-02 -0.12752524D-02 -0.48678096D-04 -0.37323277D-04 -0.18626931D-04 0.17580011D-02 0.11038900D-03 -0.91672971D-03 0.84869208D-05 -0.31851394D-02 0.40662734D-05 0.61133334D-03 0.25733991D-02 0.37125709D-04 -0.18068366D-04 0.32082125D-03 0.59185256D-03 0.95543354D-03 0.12436906D-02 0.10612434D-02 0.36642185D-03 0.53940763D-03 0.24861248D-03 -0.69713535D-03 0.16878170D-02 0.12941110D-02 0.64585209D-03 0.30965168D-06 0.23742127D-06 0.11848985D-06 -0.47035857D-05 -0.36064112D-05 -0.17998519D-05 -0.22526951D-02 -0.52317833D-03 -0.13750774D-05 -0.38365873D-05 -0.65851674D-04 0.46290147D-03 0.14816266D-04 0.10792620D-06 -0.68413304D-05 -0.91641056D-08 0.21541584D-02 0.39740016D-02 0.64152707D-02 0.83507763D-02 0.71257326D-02 0.24603442D-02 0.27761134D-02 0.12795081D-02 -0.35878743D-02 0.87193596D-02 0.66854519D-02 0.33365090D-02 0.33337362D-02 0.25560975D-02 0.12756718D-02 -0.48618555D-04 -0.37277624D-04 -0.18604147D-04 0.17561100D-02 0.10902549D-03 0.91551822D-03 0.84699642D-05 -0.31833239D-02 0.36315151D-05 0.61136546D-03 -0.25751178D-02 0.37115865D-04 0.18053461D-04 0.15673350D-01 0.28914271D-01 0.46676599D-01 0.60759063D-01 0.51845818D-01 0.17901115D-01 0.20863280D-01 0.96158668D-02 -0.26963894D-01 0.26973423D-01 0.20681510D-01 0.10321523D-01 0.71128134D-01 0.54536542D-01 0.27217557D-01 0.87090455D-04 0.66775437D-04 0.33325623D-04 -0.58360934D-02 -0.23206909D-02 -0.22107714D-02 -0.18923951D-05 0.51552422D-02 -0.49938842D-02 0.65124152D-02 -0.22749361D-01 -0.45855129D-04 0.15353028D-04 -0.20438277D-01 -0.37704630D-01 -0.60866964D-01 -0.79230702D-01 -0.67607702D-01 -0.23343315D-01 -0.26688951D-01 -0.12300913D-01 0.34493044D-01 -0.10501969D+00 -0.80522441D-01 -0.40186341D-01 -0.27393503D-04 -0.21003601D-04 -0.10482269D-04 0.29915046D-03 0.22936960D-03 0.11447150D-03 0.65698815D-02 0.45171228D-02 0.21242458D-06 -0.83080922D-05 0.16402934D-01 -0.17052073D-01 -0.87923515D-02 0.12313075D-04 -0.11208265D-03 -0.13299972D-07 -0.27825324D-03 -0.47197016D-03 -0.53732134D-03 -0.12874246D-03 -0.27810030D-03 -0.47171075D-03 -0.53702602D-03 -0.12880695D-03 0.11429403D+00 0.21084957D+00 0.34152130D+00 0.45011652D+00 0.38640153D+00 0.13134228D+00 0.19306631D+00 0.86724101D-01 -0.25694596D+00 -0.12355463D+00 -0.95367122D-01 -0.40484579D-01 -0.19076207D+00 -0.14724200D+00 -0.62506135D-01 -0.18742630D-04 -0.14466724D-04 -0.61413117D-05 -0.82200056D-01 -0.59184362D-02 -0.86210770D-02 0.19759195D-05 -0.58483013D-02 -0.10997384D-01 -0.34358194D-02 -0.10510078D-01 -0.48298842D-05 0.15287552D-05 -0.15500244D+00 -0.28594844D+00 -0.46316187D+00 -0.61043573D+00 -0.52402721D+00 -0.17812281D+00 -0.26120912D+00 -0.11733340D+00 0.34763511D+00 0.30951438D+00 0.23890239D+00 0.10141716D+00 0.61029127D-04 0.47106064D-04 0.19997134D-04 -0.80194511D-03 -0.61899095D-03 -0.26276968D-03 0.11243125D+00 0.14472038D-01 0.31091596D-05 -0.36756802D-04 0.19001018D-01 0.29051201D-02 0.41360214D-02 0.64414117D-05 -0.78647548D-04 -0.64004918D-08 0.11434438D+00 0.21094246D+00 0.34167176D+00 0.45031482D+00 0.38657176D+00 0.13140014D+00 0.19315055D+00 0.86761942D-01 -0.25705808D+00 -0.12361630D+00 -0.95414725D-01 -0.40504787D-01 0.19084524D+00 0.14730619D+00 0.62533387D-01 -0.19954641D-04 -0.15402229D-04 -0.65384459D-05 -0.82236700D-01 -0.59208174D-02 0.86250768D-02 0.19154560D-05 -0.58513602D-02 -0.11001520D-01 -0.34367102D-02 0.10514185D-01 -0.48875885D-05 -0.14154266D-05 0.18110605D-04 0.33410530D-04 0.53934955D-04 0.70207286D-04 0.59908004D-04 0.20684794D-04 0.14144357D-03 0.65191213D-04 -0.18280297D-03 -0.32231048D-03 -0.24712723D-03 -0.12333381D-03 -0.75484070D-06 -0.57876397D-06 -0.28884379D-06 0.30193102D-04 0.23150156D-04 0.11553550D-04 0.81919316D-03 -0.32622586D-03 0.10967805D-05 -0.36696390D-04 0.25144118D-03 -0.23655241D-04 0.46800951D-04 -0.39114630D-06 0.55074145D-05 0.14216337D-06 -0.27061341D-04 -0.45901157D-04 -0.52256845D-04 0.32979449D-04 -0.27653946D-04 -0.46906326D-04 -0.53401194D-04 -0.17952561D-04 -0.27634823D-04 -0.46873889D-04 -0.53364266D-04 -0.19142058D-04 MO 14 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.881900 -0.45217981D-01 -0.83418346D-01 -0.13466307D+00 -0.17529131D+00 -0.14957639D+00 -0.51645134D-01 -0.67556060D-01 -0.31136526D-01 0.87310070D-01 0.59615433D-01 0.45709333D-01 0.22812161D-01 -0.10245797D+00 -0.78558275D-01 -0.39206085D-01 -0.35640478D-03 -0.27326858D-03 -0.13638017D-03 0.18127911D-01 0.24456236D-02 -0.37152809D-02 0.68903829D-05 0.23149718D-02 -0.20497664D-02 -0.10265772D-01 0.85261748D-02 -0.18337471D-03 -0.22689998D-04 -0.49623310D-01 -0.91545317D-01 -0.14778253D+00 -0.19236894D+00 -0.16414876D+00 -0.56676624D-01 -0.70486340D-01 -0.32487090D-01 0.91097191D-01 -0.36846209D-01 -0.28251336D-01 -0.14099397D-01 -0.74638464D-01 -0.57228040D-01 -0.28560803D-01 0.54294333D-03 0.41629451D-03 0.20776014D-03 0.19063288D-01 0.35831522D-03 0.45831874D-04 -0.19664130D-04 0.33737115D-02 0.41337062D-02 -0.11663785D-01 0.47687326D-03 -0.18192316D-03 -0.10217337D-03 -0.53633870D-01 -0.98944018D-01 -0.15972632D+00 -0.20791622D+00 -0.17741528D+00 -0.61257234D-01 -0.77318039D-01 -0.35635813D-01 0.99926540D-01 -0.67942212D-01 -0.52093779D-01 -0.25998447D-01 -0.46849505D-05 -0.35921229D-05 -0.17927211D-05 0.10331963D-02 0.79218942D-03 0.39535804D-03 0.22225635D-01 -0.23351100D-02 -0.59922781D-05 0.31050157D-04 0.30872074D-02 0.27434783D-02 -0.12399707D-01 -0.69658668D-06 0.38248236D-06 -0.95690565D-07 -0.49624794D-01 -0.91548056D-01 -0.14778695D+00 -0.19237469D+00 -0.16415368D+00 -0.56678319D-01 -0.70485104D-01 -0.32486520D-01 0.91095593D-01 -0.36880745D-01 -0.28277816D-01 -0.14112612D-01 0.74617884D-01 0.57212261D-01 0.28552928D-01 0.54295157D-03 0.41630083D-03 0.20776329D-03 0.19071920D-01 0.34418898D-03 -0.50317083D-04 -0.19738139D-04 0.33768742D-02 0.41317476D-02 -0.11663767D-01 -0.47849605D-03 -0.18205089D-03 0.10228969D-03 -0.45219540D-01 -0.83421222D-01 -0.13466772D+00 -0.17529736D+00 -0.14958155D+00 -0.51646915D-01 -0.67560647D-01 -0.31138641D-01 0.87315998D-01 0.59624120D-01 0.45715993D-01 0.22815485D-01 0.10245210D+00 0.78553772D-01 0.39203838D-01 -0.35623963D-03 -0.27314195D-03 -0.13631698D-03 0.18123367D-01 0.24302411D-02 0.37218597D-02 0.70853422D-05 0.23144101D-02 -0.20512081D-02 -0.10265430D-01 -0.85277472D-02 -0.18320659D-03 0.22786930D-04 -0.44723096D-01 -0.82505380D-01 -0.13318927D+00 -0.17337285D+00 -0.14793937D+00 -0.51079908D-01 -0.66758639D-01 -0.30768995D-01 0.86279475D-01 0.12133020D+00 0.93028300D-01 0.46427641D-01 0.29236333D-04 0.22416566D-04 0.11187438D-04 -0.82921656D-03 -0.63579066D-03 -0.31730410D-03 0.15866552D-01 0.32343706D-02 0.69905802D-05 -0.30615160D-04 -0.38652377D-02 0.39657935D-02 -0.99942175D-02 -0.21462977D-05 -0.14511882D-03 0.59497434D-07 0.70589527D-02 0.11973320D-01 0.13631202D-01 -0.23207003D-03 0.70594935D-02 0.11974237D-01 0.13632246D-01 -0.23289802D-03 0.28050425D-01 0.51747411D-01 0.83817307D-01 0.11046911D+00 0.94831963D-01 0.32234463D-01 0.51378969D-01 0.23079091D-01 -0.68378675D-01 0.71983322D-01 0.55561191D-01 0.23586445D-01 0.11427029D+00 0.88200891D-01 0.37442421D-01 -0.15551109D-03 -0.12003310D-03 -0.50955606D-04 -0.21363019D-01 0.45858418D-02 0.74644746D-02 -0.11766772D-04 -0.21985992D-02 0.69818302D-03 -0.39552653D-02 0.54064470D-02 -0.89215113D-05 -0.11611640D-04 0.26319992D-01 0.48555109D-01 0.78646610D-01 0.10365426D+00 0.88981771D-01 0.30245917D-01 0.47567347D-01 0.21366935D-01 -0.63305905D-01 0.12772893D+00 0.98589109D-01 0.41852354D-01 0.27678452D-04 0.21363945D-04 0.90692715D-05 -0.58159550D-03 -0.44891146D-03 -0.19056873D-03 -0.20816817D-01 0.83416412D-02 0.11871208D-05 -0.24091875D-04 0.29049564D-02 -0.32990082D-02 -0.33153927D-02 0.22423148D-05 -0.42806510D-04 -0.81853531D-08 0.28048552D-01 0.51743955D-01 0.83811709D-01 0.11046173D+00 0.94825629D-01 0.32232310D-01 0.51376971D-01 0.23078193D-01 -0.68376016D-01 0.71983269D-01 0.55561150D-01 0.23586428D-01 -0.11425276D+00 -0.88187361D-01 -0.37436677D-01 -0.15535956D-03 -0.11991614D-03 -0.50905956D-04 -0.21359756D-01 0.45822786D-02 -0.74656582D-02 -0.11658791D-04 -0.22005302D-02 0.69800077D-03 -0.39559004D-02 -0.54042830D-02 -0.88826795D-05 0.11520102D-04 -0.18740783D-01 -0.34573086D-01 -0.55811681D-01 -0.72650225D-01 -0.61992569D-01 -0.21404544D-01 -0.25748692D-01 -0.11867548D-01 0.33277845D-01 -0.40008017D-01 -0.30675610D-01 -0.15309279D-01 0.10678599D-04 0.81876726D-05 0.40862225D-05 -0.62860024D-03 -0.48197079D-03 -0.24053721D-03 0.10407444D-01 -0.10013142D-02 -0.76920081D-05 0.13622428D-03 0.47509514D-02 -0.12444731D-02 -0.16932788D-02 -0.26389483D-05 0.18871269D-03 0.91561810D-06 0.33501714D-02 0.56825247D-02 0.64693536D-02 -0.11237432D-03 0.33940845D-02 0.57570097D-02 0.65541521D-02 0.23151568D-03 0.33968852D-02 0.57617602D-02 0.65595603D-02 0.24439595D-03 MO 15 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.790625 0.33725735D-01 0.62217395D-01 0.10043817D+00 0.13074065D+00 0.11156123D+00 0.38519413D-01 0.52119241D-01 0.24021710D-01 -0.67359384D-01 0.62154391D-01 0.47656045D-01 0.23783706D-01 0.10806724D+00 0.82859103D-01 0.41352500D-01 -0.40337070D-03 -0.30927907D-03 -0.15435193D-03 -0.15557690D-01 -0.47768858D-03 0.27637846D-02 0.43592928D-04 0.48768250D-02 -0.29480699D-02 0.68303993D-02 -0.12662112D-01 0.53918374D-04 0.56269507D-04 -0.20475271D-01 -0.37772877D-01 -0.60977135D-01 -0.79374112D-01 -0.67730074D-01 -0.23385567D-01 -0.29054404D-01 -0.13391148D-01 0.37550177D-01 0.10323548D+00 0.79154421D-01 0.39503604D-01 -0.48764550D-01 -0.37389564D-01 -0.18660013D-01 -0.16809909D-03 -0.12888772D-03 -0.64324006D-04 0.12814633D-01 0.10501033D-02 -0.18058616D-02 -0.50826763D-04 -0.45316572D-02 0.68154260D-02 -0.45926297D-02 -0.11095411D-01 0.67763234D-04 -0.32961879D-04 -0.62885897D-01 -0.11601220D+00 -0.18727966D+00 -0.24378248D+00 -0.20802003D+00 -0.71824317D-01 -0.92977346D-01 -0.42853174D-01 0.12016477D+00 0.56795702D-01 0.43547342D-01 0.21733176D-01 -0.96051989D-05 -0.73646573D-05 -0.36754801D-05 0.18790651D-02 0.14407479D-02 0.71903419D-03 0.27542836D-01 0.27821612D-02 -0.15985230D-04 0.54194987D-04 0.26092298D-02 -0.82884964D-03 -0.12880201D-01 -0.16668907D-05 0.40031793D-03 -0.23731451D-06 -0.20478787D-01 -0.37779364D-01 -0.60987607D-01 -0.79387743D-01 -0.67741705D-01 -0.23389583D-01 -0.29056110D-01 -0.13391935D-01 0.37552382D-01 0.10320512D+00 0.79131142D-01 0.39491986D-01 0.48774316D-01 0.37397052D-01 0.18663750D-01 -0.16805500D-03 -0.12885392D-03 -0.64307135D-04 0.12828613D-01 0.10140812D-02 0.17964656D-02 -0.50732888D-04 -0.45250488D-02 0.68142148D-02 -0.45944982D-02 0.11085820D-01 0.67483230D-04 0.32996837D-04 0.33707007D-01 0.62182846D-01 0.10038239D+00 0.13066805D+00 0.11149928D+00 0.38498023D-01 0.52087447D-01 0.24007057D-01 -0.67318293D-01 0.62180617D-01 0.47676153D-01 0.23793742D-01 -0.10801424D+00 -0.82818472D-01 -0.41332222D-01 -0.40386646D-03 -0.30965919D-03 -0.15454164D-03 -0.15565411D-01 -0.50895916D-03 -0.27522516D-02 0.43882446D-04 0.48688322D-02 -0.29468502D-02 0.68288339D-02 0.12661890D-01 0.54056491D-04 -0.56370735D-04 0.57424615D-01 0.10593720D+00 0.17101549D+00 0.22261136D+00 0.18995467D+00 0.65586784D-01 0.88254381D-01 0.40676364D-01 -0.11406077D+00 -0.10420026D+00 -0.79894152D-01 -0.39872781D-01 -0.63308967D-04 -0.48541300D-04 -0.24225511D-04 0.80822196D-03 0.61969334D-03 0.30927041D-03 -0.26338299D-01 -0.39928962D-02 0.13643427D-04 -0.72502290D-05 0.81214570D-02 -0.48081082D-02 0.11587008D-01 0.84349864D-06 0.81696860D-04 -0.19249332D-07 0.55958713D-02 0.94916568D-02 0.10805916D-01 0.20366868D-02 0.55976665D-02 0.94947019D-02 0.10809382D-01 0.20357969D-02 -0.21375234D-01 -0.39433022D-01 -0.63871209D-01 -0.84180653D-01 -0.72264695D-01 -0.24563592D-01 -0.36968465D-01 -0.16605988D-01 0.49200182D-01 -0.32002174D-01 -0.24701262D-01 -0.10486006D-01 -0.19930302D+00 -0.15383443D+00 -0.65304708D-01 -0.27392039D-03 -0.21142874D-03 -0.89754241D-04 0.20003249D-01 -0.22357192D-02 -0.10720603D-01 -0.37827859D-04 0.13004723D-02 -0.45571874D-02 0.16745985D-02 -0.38943983D-02 -0.12011113D-04 -0.27931549D-04 -0.37208360D-01 -0.68641966D-01 -0.11118208D+00 -0.14653519D+00 -0.12579281D+00 -0.42758408D-01 -0.64814700D-01 -0.29114332D-01 0.86259872D-01 -0.32199767D+00 -0.24853777D+00 -0.10550750D+00 -0.84185195D-04 -0.64979353D-04 -0.27584577D-04 0.11922771D-02 0.92027335D-03 0.39066796D-03 0.34722293D-01 -0.17694776D-01 -0.72189376D-05 0.74612361D-04 -0.76623253D-02 0.26778653D-02 0.34220554D-02 -0.72253947D-05 0.87338957D-04 0.17964205D-07 -0.21385027D-01 -0.39451088D-01 -0.63900471D-01 -0.84219218D-01 -0.72297802D-01 -0.24574846D-01 -0.36982892D-01 -0.16612469D-01 0.49219383D-01 -0.32045075D-01 -0.24734375D-01 -0.10500063D-01 0.19936774D+00 0.15388438D+00 0.65325914D-01 -0.27450808D-03 -0.21188235D-03 -0.89946804D-04 0.20016232D-01 -0.22436450D-02 0.10721246D-01 -0.37779091D-04 0.12966266D-02 -0.45587900D-02 0.16743295D-02 0.39002664D-02 -0.12001973D-04 0.27911703D-04 -0.57751876D-01 -0.10654093D+00 -0.17199010D+00 -0.22388001D+00 -0.19103722D+00 -0.65960561D-01 -0.81386530D-01 -0.37510977D-01 0.10518470D+00 -0.64752863D-01 -0.49648388D-01 -0.24778025D-01 0.88600713D-05 0.67933407D-05 0.33903531D-05 -0.90090772D-03 -0.69075890D-03 -0.34473710D-03 0.32795746D-01 -0.11437262D-02 -0.14262164D-04 0.32494453D-03 0.49520271D-02 -0.11582323D-02 -0.23319419D-02 -0.50726379D-05 0.23041001D-03 0.12302697D-05 0.12689060D-01 0.21523047D-01 0.24503228D-01 0.13348305D-02 0.12795089D-01 0.21702892D-01 0.24707975D-01 0.19855454D-02 0.12800296D-01 0.21711724D-01 0.24718031D-01 0.20059142D-02 MO 16 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.764893 0.56268550D-01 0.10380449D+00 0.16757263D+00 0.21812977D+00 0.18613053D+00 0.64266399D-01 0.86506912D-01 0.39870957D-01 -0.11180232D+00 -0.11268266D+00 -0.86397919D-01 -0.43118617D-01 0.21367989D-01 0.16383619D-01 0.81765739D-02 0.77998148D-03 0.59804033D-03 0.29846404D-03 -0.30660829D-01 -0.20945736D-02 0.52607851D-02 0.27637188D-05 -0.55143406D-02 0.99699881D-02 0.11703704D-01 -0.75783012D-02 0.24947402D-03 0.41010544D-04 0.62047926D-01 0.11446631D+00 0.18478411D+00 0.24053401D+00 0.20524811D+00 0.70867239D-01 0.91100839D-01 0.41988293D-01 -0.11773956D+00 0.82522686D-01 0.63273162D-01 0.31577742D-01 -0.97359443D-02 -0.74649045D-02 -0.37255105D-02 -0.61785572D-03 -0.47373258D-03 -0.23642576D-03 -0.31201281D-01 0.22525464D-03 -0.39415063D-02 -0.39030858D-06 -0.67727990D-02 0.26845307D-02 0.12550254D-01 -0.41841499D-02 0.26535902D-03 0.11027638D-03 0.13810796D-04 0.25478221D-04 0.41129749D-04 0.53538712D-04 0.45684680D-04 0.15773822D-04 0.22016521D-04 0.10147395D-04 -0.28454354D-04 0.17210837D-04 0.13196179D-04 0.65858179D-05 -0.15542973D+00 -0.11917366D+00 -0.59476006D-01 -0.55765239D-06 -0.42757248D-06 -0.21338864D-06 -0.40096179D-05 -0.10359608D-05 -0.34603259D-02 0.15638342D-06 -0.14648301D-05 0.57259386D-05 0.18977665D-05 0.21427069D-01 -0.36075499D-07 -0.16774596D-03 -0.62054965D-01 -0.11447929D+00 -0.18480508D+00 -0.24056130D+00 -0.20527139D+00 -0.70875278D-01 -0.91109006D-01 -0.41992058D-01 0.11775011D+00 -0.82606995D-01 -0.63337805D-01 -0.31610004D-01 -0.97890923D-02 -0.75056551D-02 -0.37458479D-02 0.61750711D-03 0.47346529D-03 0.23629236D-03 0.31205954D-01 -0.22488072D-03 -0.39443139D-02 0.12260429D-06 0.67769943D-02 -0.26898776D-02 -0.12549942D-01 -0.41860963D-02 -0.26554558D-03 0.11050814D-03 -0.56282445D-01 -0.10383012D+00 -0.16761401D+00 -0.21818364D+00 -0.18617649D+00 -0.64282269D-01 -0.86530542D-01 -0.39881848D-01 0.11183286D+00 0.11275634D+00 0.86454411D-01 0.43146810D-01 0.21356399D-01 0.16374733D-01 0.81721392D-02 -0.78023395D-03 -0.59823391D-03 -0.29856065D-03 0.30662935D-01 0.20919216D-02 0.52600993D-02 -0.26144354D-05 0.55137245D-02 -0.99769191D-02 -0.11705813D-01 -0.75723563D-02 -0.24934361D-03 0.40994091D-04 0.63896298D-05 0.11787619D-04 0.19028873D-04 0.24769938D-04 0.21136233D-04 0.72978334D-05 0.10111252D-04 0.46602668D-05 -0.13067874D-04 0.92494512D-05 0.70918926D-05 0.35393514D-05 -0.15603229D+00 -0.11963567D+00 -0.59706582D-01 -0.13816565D-06 -0.10593666D-06 -0.52869817D-07 -0.73387777D-06 0.20634432D-05 0.87039179D-03 -0.52809265D-07 0.43218085D-05 0.97080224D-07 0.88073766D-06 -0.19619724D-01 -0.67690111D-07 0.16331516D-03 -0.14313539D-01 -0.24278471D-01 -0.27640182D-01 -0.59916185D-03 0.14314016D-01 0.24279280D-01 0.27641102D-01 0.59826048D-03 0.39414100D-01 0.72711114D-01 0.11777304D+00 0.15522191D+00 0.13324990D+00 0.45293159D-01 0.69694441D-01 0.31306278D-01 -0.92754168D-01 0.26168802D+00 0.20198704D+00 0.85746115D-01 0.30532109D+00 0.23566575D+00 0.10004316D+00 -0.53928912D-03 -0.41625677D-03 -0.17670639D-03 -0.36383142D-01 0.13945791D-01 0.16567536D-01 -0.24979780D-04 0.84044022D-03 0.33962795D-02 -0.44889581D-02 0.10989025D-01 -0.22151518D-04 -0.12347926D-04 -0.23956268D-05 -0.44194513D-05 -0.71583582D-05 -0.94345366D-05 -0.80990571D-05 -0.27529617D-05 -0.32040328D-05 -0.14392302D-05 0.42641478D-05 0.20727438D-05 0.15998722D-05 0.67916646D-06 -0.10524911D+00 -0.81237786D-01 -0.34486493D-01 -0.17876363D-06 -0.13798085D-06 -0.58574660D-07 0.43538736D-05 0.85854682D-07 -0.54045228D-02 0.14035774D-07 -0.43992593D-06 -0.16109606D-05 0.21355340D-06 -0.50648775D-02 0.17351691D-07 0.11592857D-04 -0.39405495D-01 -0.72695239D-01 -0.11774732D+00 -0.15518802D+00 -0.13322081D+00 -0.45283270D-01 -0.69680977D-01 -0.31300231D-01 0.92736249D-01 -0.26162102D+00 -0.20193533D+00 -0.85724162D-01 0.30524146D+00 0.23560428D+00 0.10001707D+00 0.53761846D-03 0.41496726D-03 0.17615898D-03 0.36372600D-01 -0.13941756D-01 0.16563494D-01 0.24800866D-04 -0.83868311D-03 -0.33939196D-02 0.44887592D-02 0.10984961D-01 0.22044975D-04 -0.12209567D-04 0.85316103D-05 0.15739155D-04 0.25407876D-04 0.33073506D-04 0.28221682D-04 0.97442687D-05 0.15870506D-04 0.73147018D-05 -0.20511187D-04 -0.65309022D-06 -0.50074816D-06 -0.24990843D-06 -0.20322985D-01 -0.15582376D-01 -0.77766976D-02 0.16670422D-06 0.12781822D-06 0.63790252D-07 0.36683762D-05 0.20239271D-05 -0.58281355D-03 -0.10366170D-06 -0.27998837D-05 -0.18107033D-04 0.15185520D-04 0.28785300D-02 -0.68847766D-06 0.88505139D-03 0.13748654D-04 0.23320319D-04 0.26549359D-04 0.38644667D-05 0.10843246D-02 0.18392198D-02 0.20938867D-02 0.51275485D-03 -0.11069812D-02 -0.18776496D-02 -0.21376377D-02 -0.52880210D-03 MO 17 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.707389 -0.33997759D-02 -0.62719227D-02 -0.10124828D-01 -0.13179518D-01 -0.11246106D-01 -0.38830102D-02 -0.60771850D-02 -0.28009690D-02 0.78542095D-02 -0.16393810D+00 -0.12569734D+00 -0.62731782D-01 -0.92316868D-01 -0.70782719D-01 -0.35325537D-01 0.11465609D-02 0.87911018D-03 0.43873759D-03 0.20653566D-02 -0.16789062D-02 0.48571407D-03 0.60879812D-04 -0.52483688D-02 0.60976825D-02 -0.38236496D-03 0.96973826D-02 0.11981199D-03 -0.61324339D-04 0.38646465D-01 0.71295182D-01 0.11509253D+00 0.14981628D+00 0.12783850D+00 0.44139562D-01 0.56520964D-01 0.26050461D-01 -0.73048211D-01 0.32842563D-01 0.25181594D-01 0.12567380D-01 0.13882422D-01 0.10644160D-01 0.53121821D-02 0.26607881D-03 0.20401236D-03 0.10181646D-03 -0.22391027D-01 0.25741254D-02 -0.25227874D-02 -0.83520980D-04 0.33097186D-02 -0.34184365D-02 0.80223217D-02 -0.20211196D-02 0.11686079D-03 0.40129892D-04 0.66675901D-02 0.12300402D-01 0.19856662D-01 0.25847474D-01 0.22055697D-01 0.76153020D-02 0.95148642D-02 0.43853922D-02 -0.12297097D-01 0.20132222D+00 0.15436111D+00 0.77037011D-01 -0.73360611D-04 -0.56248263D-04 -0.28071826D-04 0.18801262D-02 0.14415615D-02 0.71944022D-03 -0.84020819D-02 0.64239922D-02 -0.37014417D-04 0.13489329D-03 0.10884279D-01 -0.96370034D-02 0.19314116D-02 0.10846057D-04 0.63133999D-03 -0.38310736D-06 0.38618965D-01 0.71244450D-01 0.11501063D+00 0.14970967D+00 0.12774753D+00 0.44108154D-01 0.56474725D-01 0.26029149D-01 -0.72988451D-01 0.32891427D-01 0.25219060D-01 0.12586078D-01 -0.13846622D-01 -0.10616712D-01 -0.52984832D-02 0.26612755D-03 0.20404972D-03 0.10183511D-03 -0.22400432D-01 0.25297630D-02 0.24955196D-02 -0.83087952D-04 0.33049434D-02 -0.34221432D-02 0.80180609D-02 0.20158025D-02 0.11689309D-03 -0.40430859D-04 -0.33917861D-02 -0.62571831D-02 -0.10101034D-01 -0.13148545D-01 -0.11219677D-01 -0.38738848D-02 -0.60662801D-02 -0.27959429D-02 0.78401159D-02 -0.16390861D+00 -0.12567473D+00 -0.62720497D-01 0.92247849D-01 0.70729800D-01 0.35299127D-01 0.11465046D-02 0.87906703D-03 0.43871606D-03 0.20528192D-02 -0.17080573D-02 -0.46598929D-03 0.61023998D-04 -0.52404379D-02 0.60986280D-02 -0.38052612D-03 -0.97028846D-02 0.11960657D-03 0.61405266D-04 -0.49164849D-01 -0.90699546D-01 -0.14641719D+00 -0.19059168D+00 -0.16263222D+00 -0.56152998D-01 -0.77538145D-01 -0.35737260D-01 0.10021101D+00 0.21459462D-01 0.16453754D-01 0.82115766D-02 0.35708308D-04 0.27378866D-04 0.13663973D-04 -0.23652968D-03 -0.18135596D-03 -0.90509332D-04 0.30219141D-01 0.25897654D-02 0.15936999D-04 -0.47055335D-04 -0.77732039D-02 0.18762484D-02 -0.94520054D-02 0.10095444D-05 -0.52735504D-05 -0.10523275D-07 -0.89130897D-02 -0.15118287D-01 -0.17211636D-01 -0.11094034D-02 -0.89050282D-02 -0.15104613D-01 -0.17196068D-01 -0.11131755D-02 0.36885219D-02 0.68045836D-02 0.11021650D-01 0.14526259D-01 0.12470035D-01 0.42387067D-02 0.37087001D-02 0.16659234D-02 -0.49357938D-02 -0.13710249D+00 -0.10582420D+00 -0.44923745D-01 0.14187812D+00 0.10951033D+00 0.46488553D-01 0.12490124D-02 0.96406522D-03 0.40925818D-03 -0.66527427D-02 -0.76397041D-02 0.69656517D-02 0.39935793D-04 -0.16894705D-02 0.58321642D-02 0.14364829D-02 -0.27670568D-02 0.15415120D-04 0.26428936D-04 0.38300615D-01 0.70656957D-01 0.11444584D+00 0.15083675D+00 0.12948547D+00 0.44013585D-01 0.63471776D-01 0.28511099D-01 -0.84472616D-01 0.53451769D+00 0.41257390D+00 0.17514296D+00 0.13312846D-03 0.10275680D-03 0.43621592D-04 -0.16382008D-02 -0.12644650D-02 -0.53678176D-03 -0.41935661D-01 0.27260437D-01 0.41421222D-05 -0.69393371D-04 0.11579070D-01 -0.53167847D-03 -0.21537574D-02 0.42391594D-05 -0.69745210D-04 -0.18948528D-07 0.36891529D-02 0.68057477D-02 0.11023536D-01 0.14528744D-01 0.12472168D-01 0.42394319D-02 0.37074143D-02 0.16653458D-02 -0.49340826D-02 -0.13713613D+00 -0.10585017D+00 -0.44934769D-01 -0.14191797D+00 -0.10954109D+00 -0.46501610D-01 0.12494606D-02 0.96441118D-03 0.40940504D-03 -0.66580164D-02 -0.76472490D-02 -0.69707288D-02 0.39940327D-04 -0.16908102D-02 0.58375446D-02 0.14366670D-02 0.27681664D-02 0.15363914D-04 -0.26463895D-04 -0.77074928D-01 -0.14218819D+00 -0.22953583D+00 -0.29878745D+00 -0.25495587D+00 -0.88030135D-01 -0.11162430D+00 -0.51447536D-01 0.14426426D+00 0.24200272D-01 0.18555234D-01 0.92603620D-02 -0.56333446D-04 -0.43192913D-04 -0.21556291D-04 0.15721840D-02 0.12054510D-02 0.60160453D-03 0.49543134D-01 0.19114086D-02 0.40720059D-05 0.23340843D-04 -0.53546365D-02 0.22815077D-02 0.20436175D-02 -0.66859560D-05 -0.20098556D-03 0.73622827D-06 0.21545390D-01 0.36545059D-01 0.41605258D-01 0.48099292D-02 0.21513651D-01 0.36491224D-01 0.41543969D-01 0.45845857D-02 0.21510260D-01 0.36485473D-01 0.41537421D-01 0.45714214D-02 MO 18 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.645795 -0.40798890D-01 -0.75265985D-01 -0.12150264D+00 -0.15816033D+00 -0.13495850D+00 -0.46597926D-01 -0.65232029D-01 -0.30065382D-01 0.84306471D-01 -0.19603320D+00 -0.15030583D+00 -0.75013141D-01 -0.58668665D-01 -0.44983411D-01 -0.22449875D-01 0.11571876D-02 0.88725806D-03 0.44280395D-03 0.23119544D-01 -0.40270653D-02 -0.45694684D-02 0.26067347D-04 -0.61738016D-02 -0.25608404D-02 -0.87896315D-02 0.18119127D-02 0.16393658D-04 -0.39197053D-04 0.41662095D-01 0.76858429D-01 0.12407334D+00 0.16150662D+00 0.13781389D+00 0.47583824D-01 0.62584958D-01 0.28845350D-01 -0.80885372D-01 -0.90947505D-01 -0.69732778D-01 -0.34801544D-01 -0.18626077D-01 -0.14281294D-01 -0.71273668D-02 0.52289798D-03 0.40092501D-03 0.20008968D-03 -0.26032342D-01 -0.31421036D-02 -0.19547195D-02 0.36224658D-04 0.61251973D-02 -0.37495186D-02 0.75262169D-02 -0.22193727D-02 0.75190679D-05 0.10921877D-03 0.35922367D-05 0.66269753D-05 0.10697993D-04 0.13925608D-04 0.11882747D-04 0.41028269D-05 0.93284338D-05 0.42994666D-05 -0.12056153D-04 0.27100708D-04 0.20779104D-04 0.10370229D-04 -0.19779758D+00 -0.15165864D+00 -0.75688290D-01 -0.91843100D-07 -0.70419464D-07 -0.35144248D-07 0.11819972D-04 0.18601956D-05 -0.52275518D-02 0.55486448D-08 -0.10510807D-05 0.36895071D-05 -0.65896799D-06 0.13677514D-01 -0.10478548D-06 -0.10738120D-03 -0.41675038D-01 -0.76882307D-01 -0.12411188D+00 -0.16155679D+00 -0.13785670D+00 -0.47598607D-01 -0.62602281D-01 -0.28853334D-01 0.80907761D-01 0.90904461D-01 0.69699775D-01 0.34785073D-01 -0.18644335D-01 -0.14295294D-01 -0.71343533D-02 -0.52364906D-03 -0.40150088D-03 -0.20037708D-03 0.26048034D-01 0.31310362D-02 -0.19610135D-02 -0.36337775D-04 -0.61160446D-02 0.37469939D-02 -0.75279318D-02 -0.22276966D-02 -0.77976517D-05 0.10961007D-03 0.40792149D-01 0.75253550D-01 0.12148256D+00 0.15813420D+00 0.13493620D+00 0.46590227D-01 0.65221684D-01 0.30060615D-01 -0.84293101D-01 0.19616817D+00 0.15040931D+00 0.75064786D-01 -0.58688955D-01 -0.44998969D-01 -0.22457639D-01 -0.11587227D-02 -0.88843509D-03 -0.44339138D-03 -0.23127565D-01 0.40229907D-02 -0.45656529D-02 -0.25922833D-04 0.61675386D-02 0.25580963D-02 0.87896832D-02 0.18136221D-02 -0.16223522D-04 -0.39186071D-04 0.11931288D-04 0.22010896D-04 0.35532411D-04 0.46252641D-04 0.39467462D-04 0.13627166D-04 0.19914164D-04 0.91784201D-05 -0.25737248D-04 -0.23339749D-04 -0.17895439D-04 -0.89310784D-05 0.33580620D+00 0.25747490D+00 0.12849802D+00 0.49395577D-06 0.37873396D-06 0.18901479D-06 -0.14037857D-04 -0.15236599D-05 0.79813853D-02 -0.32068546D-07 -0.26093193D-05 -0.42110096D-06 0.28999642D-05 0.11747653D-01 0.37712721D-07 -0.16909071D-03 -0.17207053D-01 -0.29186419D-01 -0.33227707D-01 -0.58133610D-02 0.17211774D-01 0.29194426D-01 0.33236822D-01 0.58118452D-02 -0.36444047D-01 -0.67231962D-01 -0.10889824D+00 -0.14352515D+00 -0.12320885D+00 -0.41880089D-01 -0.60735570D-01 -0.27282014D-01 0.80831085D-01 -0.10998289D+00 -0.84891612D-01 -0.36037589D-01 -0.81706723D+00 -0.63066314D+00 -0.26772468D+00 -0.20853218D-02 -0.16095806D-02 -0.68328784D-03 0.40344770D-01 -0.53231981D-02 -0.43494865D-01 -0.11701539D-03 0.24869234D-02 -0.14487482D-01 0.29215109D-02 -0.79127251D-02 -0.27423171D-04 -0.71697211D-04 -0.16691117D-04 -0.30791764D-04 -0.49874626D-04 -0.65733506D-04 -0.56428783D-04 -0.19180786D-04 -0.25529469D-04 -0.11467667D-04 0.33976378D-04 -0.42713728D-03 -0.32969104D-03 -0.13995812D-03 0.49182940D+00 0.37962442D+00 0.16115549D+00 0.18235911D-05 0.14075606D-05 0.59752773D-06 0.21461702D-04 -0.21087762D-04 0.26684980D-01 0.11896271D-06 -0.91889252D-05 0.20974469D-05 -0.23214227D-06 0.18161885D-01 0.94904981D-07 -0.58516958D-04 0.36441735D-01 0.67227697D-01 0.10889133D+00 0.14351604D+00 0.12320103D+00 0.41877432D-01 0.60734724D-01 0.27281633D-01 -0.80829958D-01 0.11019292D+00 0.85053728D-01 0.36106410D-01 -0.81690381D+00 -0.63053701D+00 -0.26767113D+00 0.20874149D-02 0.16111962D-02 0.68397366D-03 -0.40337995D-01 0.53377508D-02 -0.43486724D-01 0.11705773D-03 -0.24847523D-02 0.14482019D-01 -0.29231345D-02 -0.79215860D-02 0.27429392D-04 -0.71755264D-04 0.16337067D-05 0.30138699D-05 0.48653205D-05 0.63332017D-05 0.54041325D-05 0.18659171D-05 0.52040379D-05 0.23985363D-05 -0.67257462D-05 -0.21614038D-04 -0.16572273D-04 -0.82707259D-05 -0.46683558D-01 -0.35793991D-01 -0.17863710D-01 -0.81682134D-06 -0.62628680D-06 -0.31256101D-06 0.19230903D-05 0.18456350D-05 -0.24313921D-02 0.65620901D-06 -0.14947330D-05 -0.48508120D-04 0.46605495D-04 0.47648706D-02 -0.16852359D-05 0.25061388D-02 0.40784797D-04 0.69178734D-04 0.78757544D-04 0.12686777D-04 0.28464842D-02 0.48281760D-02 0.54967077D-02 0.10966455D-02 -0.28952887D-02 -0.49109576D-02 -0.55909516D-02 -0.11185517D-02 MO 19 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.618757 0.31571007D-01 0.58242342D-01 0.94021200D-01 0.12238767D+00 0.10443362D+00 0.36058418D-01 0.50868628D-01 0.23445304D-01 -0.65743080D-01 -0.10893501D+00 -0.83524459D-01 -0.41684559D-01 -0.16624956D+00 -0.12746962D+00 -0.63616274D-01 0.10501527D-02 0.80519052D-03 0.40184650D-03 -0.26791576D-01 -0.67291842D-02 0.15774197D-02 0.28466173D-04 0.34480661D-02 0.26691766D-02 0.66618461D-02 0.71273419D-02 0.48098239D-04 0.36806823D-04 0.73412796D-02 0.13543227D-01 0.21862968D-01 0.28459089D-01 0.24284192D-01 0.83847479D-02 0.12597737D-01 0.58062854D-02 -0.16281430D-01 0.15770624D+00 0.12091915D+00 0.60347128D-01 -0.17653305D+00 -0.13535435D+00 -0.67551306D-01 -0.74140661D-03 -0.56846356D-03 -0.28370316D-03 0.36121004D-02 0.12946364D-02 -0.11549932D-01 0.82224375D-05 -0.89241101D-02 0.87566021D-02 0.74706003D-03 -0.61950011D-02 0.15604643D-03 0.35988758D-04 -0.49348712D-01 -0.91038738D-01 -0.14696475D+00 -0.19130444D+00 -0.16324042D+00 -0.56362996D-01 -0.77681186D-01 -0.35803188D-01 0.10039588D+00 -0.95887781D-01 -0.73520669D-01 -0.36691966D-01 -0.34248417D-04 -0.26259514D-04 -0.13105338D-04 -0.18910795D-03 -0.14499598D-03 -0.72363157D-04 0.20058511D-01 0.33932053D-02 -0.59071263D-05 0.26619848D-04 -0.96284661D-02 -0.10083449D-02 -0.82393967D-02 0.36378813D-06 -0.12158408D-03 -0.45212890D-08 0.73254741D-02 0.13514069D-01 0.21815898D-01 0.28397817D-01 0.24231909D-01 0.83666958D-02 0.12571475D-01 0.57941812D-02 -0.16247489D-01 0.15768873D+00 0.12090572D+00 0.60340427D-01 0.17650926D+00 0.13533610D+00 0.67542200D-01 -0.74086569D-03 -0.56804882D-03 -0.28349617D-03 0.36104958D-02 0.12963125D-02 0.11544429D-01 0.83743300D-05 -0.89229889D-02 0.87617474D-02 0.74388141D-03 0.61839000D-02 0.15599871D-03 -0.36089744D-04 0.31573761D-01 0.58247425D-01 0.94029404D-01 0.12239834D+00 0.10444273D+00 0.36061565D-01 0.50874365D-01 0.23447948D-01 -0.65750495D-01 -0.10890073D+00 -0.83498173D-01 -0.41671440D-01 0.16620613D+00 0.12743632D+00 0.63599654D-01 0.10495860D-02 0.80475600D-03 0.40162965D-03 -0.26786367D-01 -0.67207981D-02 -0.15775732D-02 0.28331922D-04 0.34533774D-02 0.26698093D-02 0.66617660D-02 -0.71290205D-02 0.47913688D-04 -0.36636629D-04 -0.32978043D-01 -0.60838050D-01 -0.98211477D-01 -0.12784216D+00 -0.10908795D+00 -0.37665447D-01 -0.51297743D-01 -0.23643083D-01 0.66297673D-01 -0.54519268D-01 -0.41801916D-01 -0.20862086D-01 0.11635695D-04 0.89215132D-05 0.44524604D-05 0.13940670D-03 0.10688822D-03 0.53344711D-04 0.27524515D-01 0.61386871D-02 -0.44208275D-06 -0.20804324D-04 0.84956774D-03 -0.10062889D-01 -0.78034043D-02 0.51200436D-05 -0.28826932D-04 -0.24583671D-07 -0.81112864D-02 -0.13758277D-01 -0.15663312D-01 -0.66688701D-03 -0.80994421D-02 -0.13738187D-01 -0.15640440D-01 -0.66309140D-03 -0.33791740D-01 -0.62338987D-01 -0.10097290D+00 -0.13307975D+00 -0.11424201D+00 -0.38832161D-01 -0.54709704D-01 -0.24575235D-01 0.72811447D-01 -0.69710272D+00 -0.53806709D+00 -0.22841645D+00 -0.55153105D+00 -0.42570586D+00 -0.18071765D+00 0.16379840D-02 0.12642976D-02 0.53671070D-03 0.38209673D-01 -0.36522039D-01 -0.28239876D-01 0.88925706D-04 -0.74162779D-02 -0.49672046D-02 0.12908528D-02 -0.17325543D-01 0.32895299D-04 0.42099986D-04 0.29722000D-01 0.54831131D-01 0.88812129D-01 0.11705216D+00 0.10048317D+00 0.34155372D-01 0.52626812D-01 0.23639614D-01 -0.70039391D-01 0.73788544D+00 0.56954573D+00 0.24177954D+00 0.17783253D-03 0.13726217D-03 0.58269570D-04 -0.18920387D-02 -0.14603928D-02 -0.61995565D-03 -0.29564838D-01 0.39318247D-01 0.94767372D-05 -0.10087963D-03 0.92748388D-02 -0.35466969D-02 -0.47610505D-02 0.66227386D-05 -0.73016536D-04 -0.19150618D-07 -0.33792211D-01 -0.62339856D-01 -0.10097430D+00 -0.13308160D+00 -0.11424361D+00 -0.38832702D-01 -0.54713565D-01 -0.24576969D-01 0.72816586D-01 -0.69722206D+00 -0.53815921D+00 -0.22845556D+00 0.55141300D+00 0.42561474D+00 0.18067897D+00 0.16341991D-02 0.12613762D-02 0.53547054D-03 0.38206082D-01 -0.36527296D-01 0.28234389D-01 0.88654375D-04 -0.74164071D-02 -0.49623061D-02 0.12923271D-02 0.17324599D-01 0.32768631D-04 -0.41953779D-04 0.34177912D-01 0.63051574D-01 0.10178479D+00 0.13249355D+00 0.11305699D+00 0.39035861D-01 0.50828017D-01 0.23426587D-01 -0.65690594D-01 -0.11849161D+00 -0.90851849D-01 -0.45341440D-01 0.89314823D-05 0.68480941D-05 0.34176789D-05 -0.20841625D-02 -0.15980036D-02 -0.79751581D-03 -0.27058620D-01 -0.40479282D-02 0.50072874D-05 -0.13621720D-03 0.10927581D-01 -0.46658471D-02 -0.46749679D-02 0.41443077D-05 0.36371494D-03 -0.13733112D-05 -0.13703676D-01 -0.23244028D-01 -0.26462505D-01 -0.47128003D-02 -0.13878122D-01 -0.23539921D-01 -0.26799369D-01 -0.48423596D-02 -0.13883128D-01 -0.23548413D-01 -0.26809036D-01 -0.48480036D-02 MO 20 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.564705 0.43430777D-02 0.80121304D-02 0.12934063D-01 0.16836307D-01 0.14366451D-01 0.49603902D-02 0.43749560D-02 0.20164132D-02 -0.56542331D-02 -0.97570787D-01 -0.74811091D-01 -0.37335977D-01 0.21010111D+00 0.16109221D+00 0.80396302D-01 -0.53595195D-04 -0.41093396D-04 -0.20508485D-04 -0.68730382D-02 -0.48353785D-02 0.59681075D-02 -0.10449641D-05 0.69848569D-02 0.97367637D-03 -0.35055556D-03 -0.51450155D-02 -0.30583192D-04 -0.38329439D-04 -0.96437023D-02 -0.17790748D-01 -0.28719783D-01 -0.37384624D-01 -0.31900367D-01 -0.11014430D-01 -0.15910485D-01 -0.73331280D-02 0.20562856D-01 0.10815499D+00 0.82926390D-01 0.41386080D-01 0.84372134D-01 0.64691201D-01 0.32285443D-01 -0.11875918D-02 -0.91057004D-03 -0.45443827D-03 0.11119859D-01 0.33139486D-02 0.61240328D-02 -0.26211024D-04 -0.23756003D-02 0.47458671D-02 -0.45694633D-03 -0.73340547D-02 0.53229712D-04 0.22301888D-04 -0.14366544D-01 -0.26503468D-01 -0.42784815D-01 -0.55693117D-01 -0.47523038D-01 -0.16408563D-01 -0.23728663D-01 -0.10936519D-01 0.30667141D-01 0.45280157D-01 0.34717952D-01 0.17326691D-01 0.55730240D-04 0.42730413D-04 0.21325471D-04 -0.89312089D-03 -0.68478845D-03 -0.34175743D-03 0.13776692D-01 0.45184537D-02 0.19338369D-04 -0.12405451D-03 -0.75940815D-02 0.49451583D-02 -0.12797020D-02 -0.50632170D-05 0.45995817D-06 0.21888277D-06 -0.96461882D-02 -0.17795334D-01 -0.28727186D-01 -0.37394261D-01 -0.31908590D-01 -0.11017269D-01 -0.15909411D-01 -0.73326329D-02 0.20561468D-01 0.10811164D+00 0.82893145D-01 0.41369489D-01 -0.84416486D-01 -0.64725207D-01 -0.32302414D-01 -0.11881846D-02 -0.91102462D-03 -0.45466513D-03 0.11151243D-01 0.33208637D-02 -0.61120758D-02 -0.26541317D-04 -0.23717164D-02 0.47494157D-02 -0.45972279D-03 0.73323875D-02 0.52969047D-04 -0.21936182D-04 0.43452484D-02 0.80161348D-02 0.12940527D-01 0.16844721D-01 0.14373631D-01 0.49628694D-02 0.43765040D-02 0.20171267D-02 -0.56562338D-02 -0.97433033D-01 -0.74705470D-01 -0.37283265D-01 -0.21015756D+00 -0.16113549D+00 -0.80417902D-01 -0.54891882D-04 -0.42087614D-04 -0.21004669D-04 -0.68770859D-02 -0.48310934D-02 -0.59772874D-02 -0.99608691D-06 0.69824523D-02 0.97565061D-03 -0.34898500D-03 0.51494484D-02 -0.30664724D-04 0.38142085D-04 -0.63705020D-02 -0.11752332D-01 -0.18971908D-01 -0.24695787D-01 -0.21072960D-01 -0.72759867D-02 -0.12466939D-01 -0.57460006D-02 0.16112386D-01 -0.34663020D+00 -0.26577405D+00 -0.13263988D+00 -0.53911561D-06 -0.41335965D-06 -0.20629544D-06 0.13158914D-02 0.10089420D-02 0.50353279D-03 0.31699681D-02 -0.43143713D-02 0.11236597D-05 0.25053384D-04 0.10128578D-01 -0.37164027D-02 -0.41174169D-02 0.53216309D-05 0.25464031D-04 0.13306922D-07 0.13417518D-01 0.22758650D-01 0.25909919D-01 0.37504001D-02 0.13421039D-01 0.22764623D-01 0.25916719D-01 0.37558960D-02 0.27543353D-01 0.50811966D-01 0.82302130D-01 0.10847214D+00 0.93117672D-01 0.31651756D-01 0.34522897D-01 0.15507455D-01 -0.45945452D-01 0.49476343D+00 0.38188909D+00 0.16211687D+00 0.79812940D+00 0.61604575D+00 0.26151940D+00 0.19304471D-03 0.14900387D-03 0.63254074D-04 -0.42433765D-01 0.24849142D-01 0.39659157D-01 0.11748011D-04 0.90564386D-02 0.13823820D-01 0.49639029D-02 0.97299212D-02 -0.43333684D-05 0.14691272D-04 0.46996161D-01 0.86698497D-01 0.14042895D+00 0.18508183D+00 0.15888309D+00 0.54006171D-01 0.65749598D-01 0.29534282D-01 -0.87504099D-01 0.16747330D+01 0.12926627D+01 0.54875208D+00 0.52820105D-03 0.40769832D-03 0.17307322D-03 -0.37426499D-02 -0.28888092D-02 -0.12263370D-02 -0.63659863D-01 0.86094752D-01 0.28735518D-04 -0.19116044D-03 0.26874428D-01 0.45147196D-02 0.39920028D-02 0.14364086D-04 -0.99884021D-04 -0.30419427D-07 0.27546341D-01 0.50817478D-01 0.82311058D-01 0.10848391D+00 0.93127773D-01 0.31655190D-01 0.34533081D-01 0.15512030D-01 -0.45959006D-01 0.49456529D+00 0.38173615D+00 0.16205194D+00 -0.79835116D+00 -0.61621692D+00 -0.26159207D+00 0.20281718D-03 0.15654687D-03 0.66456176D-04 -0.42430549D-01 0.24837566D-01 -0.39672470D-01 0.12324463D-04 0.90500545D-02 0.13824872D-01 0.49604718D-02 -0.97270794D-02 -0.41601141D-05 -0.14958283D-04 0.14390264D-01 0.26547227D-01 0.42855456D-01 0.55785070D-01 0.47601502D-01 0.16435655D-01 0.20486058D-01 0.94420056D-02 -0.26476369D-01 -0.89329925D-01 -0.68492520D-01 -0.34182568D-01 0.11972453D-03 0.91797178D-04 0.45813225D-04 -0.42725880D-02 -0.32759495D-02 -0.16349284D-02 -0.15462935D-01 -0.29083763D-02 -0.14384365D-04 0.23953764D-03 0.51041213D-02 -0.19956695D-02 -0.29761737D-02 0.43804704D-05 0.24298167D-03 0.38267144D-06 -0.75424684D-02 -0.12793454D-01 -0.14564895D-01 -0.31107586D-02 -0.70665458D-02 -0.11986199D-01 -0.13645864D-01 -0.20820924D-02 -0.70489581D-02 -0.11956367D-01 -0.13611901D-01 -0.20450853D-02 MO 21 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.545301 -0.82888226D-02 -0.15291259D-01 -0.24684834D-01 -0.32132319D-01 -0.27418566D-01 -0.94669719D-02 -0.13009983D-01 -0.59962893D-02 0.16814221D-01 0.15375209D+00 0.11788735D+00 0.58834052D-01 0.23806401D+00 0.18253238D+00 0.91096452D-01 -0.14071639D-02 -0.10789240D-02 -0.53845869D-03 0.75240840D-02 0.39388867D-02 -0.21334834D-02 -0.53801879D-04 -0.89761509D-02 0.82506225D-02 -0.33281474D-02 -0.11955416D-01 0.37629927D-04 -0.24083582D-04 0.13375090D-01 0.24674430D-01 0.39832181D-01 0.51849664D-01 0.44243412D-01 0.15276187D-01 0.19265137D-01 0.88792840D-02 -0.24898439D-01 -0.18456316D+00 -0.14151132D+00 -0.70624067D-01 0.92377653D-01 0.70829325D-01 0.35348797D-01 0.81359404D-03 0.62381231D-03 0.31132606D-03 -0.19991376D-01 -0.13472772D-01 0.11990798D-01 0.13762183D-03 0.47261273D-02 -0.32527478D-02 0.23351806D-02 -0.45011438D-02 -0.79576773D-04 0.10507578D-03 -0.27365278D-04 -0.50483594D-04 -0.81496174D-04 -0.10608380D-03 -0.90521502D-04 -0.31254899D-04 -0.31029504D-04 -0.14301470D-04 0.40102815D-04 0.21315099D-04 0.16343066D-04 0.81563352D-05 -0.24767893D+00 -0.18990449D+00 -0.94775652D-01 0.14908895D-05 0.11431195D-05 0.57049674D-06 0.82729579D-04 0.86237805D-07 0.65080542D-02 -0.39510631D-06 -0.43980203D-05 -0.47846259D-05 -0.68566279D-05 0.38394567D-02 -0.47523920D-06 0.12734044D-04 -0.13350609D-01 -0.24629266D-01 -0.39759273D-01 -0.51754759D-01 -0.44162430D-01 -0.15248226D-01 -0.19231860D-01 -0.88639468D-02 0.24855432D-01 0.18460054D+00 0.14153998D+00 0.70638371D-01 0.92644213D-01 0.71033706D-01 0.35450798D-01 -0.81296134D-03 -0.62332719D-03 -0.31108396D-03 0.19981543D-01 0.13428543D-01 0.11965643D-01 -0.13723935D-03 -0.47125045D-02 0.32512980D-02 -0.23277221D-02 -0.44845468D-02 0.79688740D-04 0.10523292D-03 0.82773656D-02 0.15270123D-01 0.24650714D-01 0.32087905D-01 0.27380667D-01 0.94538864D-02 0.12983435D-01 0.59840531D-02 -0.16779910D-01 -0.15396377D+00 -0.11804965D+00 -0.58915051D-01 0.23783968D+00 0.18236038D+00 0.91010610D-01 0.14072037D-02 0.10789545D-02 0.53847393D-03 -0.75346855D-02 -0.39709685D-02 -0.21039623D-02 0.54100061D-04 0.89690710D-02 -0.82444061D-02 0.33259976D-02 -0.11910240D-01 -0.37455099D-04 -0.24083656D-04 0.14349094D-04 0.26471277D-04 0.42732848D-04 0.55625471D-04 0.47465315D-04 0.16388633D-04 0.18109458D-04 0.83466328D-05 -0.23404829D-04 0.38173383D-04 0.29268929D-04 0.14607247D-04 -0.29397358D+00 -0.22540030D+00 -0.11249055D+00 -0.67165130D-06 -0.51497961D-06 -0.25701092D-06 -0.44255932D-04 -0.37989386D-05 -0.17383288D-01 -0.30679899D-07 -0.52593031D-05 0.10454083D-04 0.45237590D-05 0.29661585D-02 0.25581352D-07 0.85349810D-04 -0.58185712D-02 -0.98693981D-02 -0.11235961D-01 -0.35146519D-02 0.57952241D-02 0.98297969D-02 0.11190876D-01 0.34834859D-02 -0.17536485D-01 -0.32351300D-01 -0.52400666D-01 -0.69062765D-01 -0.59286778D-01 -0.20152250D-01 -0.26558064D-01 -0.11929705D-01 0.35345302D-01 -0.10889044D+01 -0.84048394D+00 -0.35679632D+00 -0.28734995D+00 -0.22179451D+00 -0.94154643D-01 0.41958394D-02 0.32386090D-02 0.13748315D-02 0.19322108D-01 -0.62284618D-01 -0.13668249D-01 0.22168384D-03 -0.11612419D-01 0.20827461D-02 -0.39206345D-03 -0.21668989D-01 0.33657392D-04 0.96651173D-04 -0.40567883D-05 -0.74839612D-05 -0.12122065D-04 -0.15976578D-04 -0.13715058D-04 -0.46619042D-05 -0.39397771D-05 -0.17697216D-05 0.52433270D-05 -0.42407241D-04 -0.32732538D-04 -0.13895387D-04 -0.89518270D+00 -0.69095750D+00 -0.29332041D+00 -0.18940651D-05 -0.14619569D-05 -0.62061964D-06 0.80852452D-05 -0.62565457D-06 -0.50337639D-01 -0.95584257D-07 0.30491325D-06 -0.43207701D-05 -0.46452312D-06 -0.23379717D-01 -0.50109696D-07 0.80547024D-04 0.17575374D-01 0.32423043D-01 0.52516871D-01 0.69215919D-01 0.59418253D-01 0.20196940D-01 0.26625610D-01 0.11960047D-01 -0.35435198D-01 0.10894459D+01 0.84090186D+00 0.35697374D+00 -0.28896632D+00 -0.22304212D+00 -0.94684270D-01 -0.41872989D-02 -0.32320169D-02 -0.13720331D-02 -0.19354616D-01 0.62322209D-01 -0.13753325D-01 -0.22126254D-03 0.11612637D-01 -0.20723434D-02 0.38821937D-03 -0.21686606D-01 -0.33439412D-04 0.96574911D-04 0.11438428D-04 0.21101667D-04 0.34064633D-04 0.44342031D-04 0.37837135D-04 0.13064253D-04 0.13626165D-04 0.62802872D-05 -0.17610581D-04 -0.12285818D-03 -0.94199858D-04 -0.47012331D-04 -0.95439281D-01 -0.73176787D-01 -0.36520345D-01 -0.31996866D-05 -0.24533168D-05 -0.12243770D-05 -0.25268996D-04 -0.38873074D-05 -0.82620629D-02 0.29165600D-05 0.59082596D-05 -0.12141822D-03 0.11636057D-03 0.76366701D-02 -0.37524751D-05 0.61890092D-02 0.88421280D-04 0.14997923D-03 0.17074605D-03 0.24311622D-04 0.63156717D-02 0.10712575D-01 0.12195888D-01 0.18936780D-02 -0.64285983D-02 -0.10904120D-01 -0.12413955D-01 -0.19190956D-02 MO 22 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.538469 0.12036414D-01 0.22204834D-01 0.35845487D-01 0.46660173D-01 0.39815210D-01 0.13747235D-01 0.17187991D-01 0.79219296D-02 -0.22213917D-01 0.20315951D+00 0.15576983D+00 0.77740060D-01 -0.74127404D-01 -0.56836192D-01 -0.28365243D-01 -0.13204041D-02 -0.10124021D-02 -0.50525962D-03 -0.29631764D-01 -0.13543664D-02 0.12718209D-01 -0.66979449D-04 0.77114241D-02 -0.69429214D-02 0.56905018D-02 0.30628172D-01 -0.15824327D-03 -0.78911304D-04 -0.23056101D-01 -0.42534004D-01 -0.68663071D-01 -0.89378917D-01 -0.76267191D-01 -0.26333228D-01 -0.33644996D-01 -0.15506948D-01 0.43483100D-01 -0.78696093D-01 -0.60339173D-01 -0.30113476D-01 0.16642599D+00 0.12760490D+00 0.63683787D-01 -0.45725881D-03 -0.35059705D-03 -0.17497250D-03 0.30604559D-01 -0.59673776D-02 0.57787348D-04 0.76783391D-04 -0.48935157D-03 -0.23022706D-02 -0.44350411D-02 0.19058166D-01 -0.14812633D-03 -0.13889261D-03 0.39317358D-01 0.72532848D-01 0.11709051D+00 0.15241705D+00 0.13005774D+00 0.44905813D-01 0.62109057D-01 0.28626008D-01 -0.80270313D-01 -0.34938498D-02 -0.26788624D-02 -0.13369401D-02 -0.94064852D-04 -0.72122962D-04 -0.35994413D-04 -0.14408780D-02 -0.11047739D-02 -0.55135958D-03 -0.38402466D-01 0.22761183D-02 0.31822097D-04 -0.21127354D-03 0.30104573D-02 0.70980911D-02 0.58328407D-02 0.52390116D-05 -0.19270349D-03 0.23075672D-06 -0.23075590D-01 -0.42569958D-01 -0.68721111D-01 -0.89454468D-01 -0.76331659D-01 -0.26355488D-01 -0.33666649D-01 -0.15516928D-01 0.43511085D-01 -0.78587202D-01 -0.60255682D-01 -0.30071808D-01 -0.16627196D+00 -0.12748679D+00 -0.63624844D-01 -0.45889263D-03 -0.35184976D-03 -0.17559769D-03 0.30675175D-01 -0.59455304D-02 -0.23265135D-04 0.76332196D-04 -0.48786046D-03 -0.23069815D-02 -0.44391528D-02 -0.19063619D-01 -0.14821846D-03 0.13933477D-03 0.12037027D-01 0.22205964D-01 0.35847311D-01 0.46662547D-01 0.39817236D-01 0.13747935D-01 0.17186822D-01 0.79213903D-02 -0.22212405D-01 0.20312356D+00 0.15574226D+00 0.77726303D-01 0.74561785D-01 0.57169247D-01 0.28531461D-01 -0.13204933D-02 -0.10124705D-02 -0.50529373D-03 -0.29633960D-01 -0.13594173D-02 -0.12727020D-01 -0.66845090D-04 0.77250050D-02 -0.69645776D-02 0.56966952D-02 -0.30651589D-01 -0.15817794D-03 0.78991304D-04 -0.15917744D-01 -0.29365129D-01 -0.47404423D-01 -0.61706474D-01 -0.52654246D-01 -0.18180246D-01 -0.21737269D-01 -0.10018687D-01 0.28093445D-01 -0.16550398D+00 -0.12689795D+00 -0.63330973D-01 -0.23838210D-03 -0.18277628D-03 -0.91218172D-04 0.33174730D-03 0.25436279D-03 0.12694486D-03 0.36169600D-01 0.17260790D-01 -0.66165970D-05 -0.70516135D-04 0.18025382D-01 -0.20903586D-01 -0.67362671D-02 0.89231980D-05 -0.17826767D-03 0.91173739D-07 0.18334300D-01 0.31098444D-01 0.35404479D-01 0.11981700D-01 0.18329358D-01 0.31090061D-01 0.35394936D-01 0.11982909D-01 -0.23388457D-01 -0.43147015D-01 -0.69886909D-01 -0.92109194D-01 -0.79070934D-01 -0.26877110D-01 -0.37925153D-01 -0.17035726D-01 0.50473409D-01 -0.22482771D+00 -0.17353597D+00 -0.73668267D-01 -0.12073245D+01 -0.93188793D+00 -0.39559850D+00 -0.47456965D-02 -0.36630228D-02 -0.15550006D-02 0.22982666D-01 -0.11826735D-01 -0.65470480D-01 -0.25948213D-03 0.35076544D-02 -0.12720601D-01 0.16157710D-02 -0.89138312D-02 -0.73810590D-04 -0.87027337D-04 0.24372157D-01 0.44961745D-01 0.72826297D-01 0.95983234D-01 0.82396595D-01 0.28007540D-01 0.42959216D-01 0.19296994D-01 -0.57173087D-01 0.12288731D+01 0.94852047D+00 0.40265923D+00 -0.30742200D-03 -0.23728736D-03 -0.10073156D-03 -0.31398724D-02 -0.24235482D-02 -0.10288276D-02 -0.18823031D-01 0.67218527D-01 -0.17077675D-04 -0.15781693D-03 0.11323686D-01 -0.63627482D-02 -0.33991010D-02 -0.66755828D-05 -0.68069319D-04 0.30187843D-07 -0.23352499D-01 -0.43080679D-01 -0.69779462D-01 -0.91967582D-01 -0.78949367D-01 -0.26835788D-01 -0.37866229D-01 -0.17009258D-01 0.50394988D-01 -0.22320120D+00 -0.17228052D+00 -0.73135314D-01 0.12062324D+01 0.93104497D+00 0.39524065D+00 -0.47552914D-02 -0.36704287D-02 -0.15581445D-02 0.22949187D-01 -0.11734924D-01 0.65412612D-01 -0.25995981D-03 0.35189358D-02 -0.12718569D-01 0.16136887D-02 0.88827993D-02 -0.73841460D-04 0.87235203D-04 -0.11421821D-01 -0.21071029D-01 -0.34015174D-01 -0.44277650D-01 -0.37782199D-01 -0.13045285D-01 -0.16497277D-01 -0.76035801D-02 0.21321232D-01 0.13569719D+00 0.10404400D+00 0.51925245D-01 0.40830258D-04 0.31306052D-04 0.15623914D-04 -0.32318638D-03 -0.24779882D-03 -0.12366898D-03 0.97550595D-02 0.51811198D-02 -0.15843798D-04 0.26032561D-03 -0.88518755D-02 0.45097168D-02 0.37580249D-02 0.57188799D-05 -0.35507460D-03 0.53895969D-05 0.78421685D-02 0.13301802D-01 0.15143631D-01 0.37052780D-02 0.85722225D-02 0.14540112D-01 0.16553403D-01 0.45072655D-02 0.85878209D-02 0.14566570D-01 0.16583525D-01 0.45340661D-02 MO 23 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.506011 -0.18097599D-01 -0.33386537D-01 -0.53896222D-01 -0.70156867D-01 -0.59864982D-01 -0.20669940D-01 -0.31009685D-01 -0.14292335D-01 0.40077200D-01 0.22996900D+00 0.17632564D+00 0.87998854D-01 -0.21509840D+00 -0.16492381D+00 -0.82308540D-01 -0.61703123D-03 -0.47310041D-03 -0.23611026D-03 0.15341239D-01 -0.73247409D-02 -0.39172463D-02 0.29543645D-04 0.21996090D-02 -0.13130625D-01 0.18674614D-02 0.25972414D-01 -0.12155613D-03 -0.36518933D-04 0.56492268D-03 0.10421720D-02 0.16823888D-02 0.21899704D-02 0.18687057D-02 0.64521916D-03 0.16287964D-02 0.75071078D-03 -0.21050714D-02 -0.27147689D+00 -0.20815126D+00 -0.10388207D+00 -0.35623806D-01 -0.27314075D-01 -0.13631638D-01 0.20967085D-02 0.16076231D-02 0.80231660D-03 0.89946651D-02 -0.16642318D-01 -0.35877113D-02 0.21242830D-03 0.62985861D-02 -0.86676614D-02 -0.30640110D-03 0.84068147D-02 -0.15509001D-03 0.17650466D-04 0.58606998D-05 0.10811847D-04 0.17453673D-04 0.22719496D-04 0.19386587D-04 0.66937228D-05 0.19302621D-04 0.88965606D-05 -0.24946884D-04 0.19812263D-04 0.15190786D-04 0.75812670D-05 -0.18875913D+00 -0.14472853D+00 -0.72229679D-01 -0.55321478D-06 -0.42417001D-06 -0.21169056D-06 0.33327911D-04 0.81734849D-05 -0.44582023D-02 -0.23990975D-06 0.10899688D-06 -0.45279144D-05 0.24286746D-05 -0.98719007D-02 -0.44701628D-06 0.25247088D-03 -0.58111544D-03 -0.10720445D-02 -0.17306122D-02 -0.22527429D-02 -0.19222696D-02 -0.66371351D-03 -0.16555708D-02 -0.76305109D-03 0.21396749D-02 0.27138775D+00 0.20808291D+00 0.10384796D+00 -0.35669634D-01 -0.27349213D-01 -0.13649174D-01 -0.20987832D-02 -0.16092139D-02 -0.80311050D-03 -0.89549880D-02 0.16599074D-01 -0.36009425D-02 -0.21239396D-03 -0.62879507D-02 0.86680577D-02 0.30612198D-03 0.83939095D-02 0.15484825D-03 0.18034483D-04 0.18108574D-01 0.33406784D-01 0.53928908D-01 0.70199414D-01 0.59901287D-01 0.20682475D-01 0.31017277D-01 0.14295835D-01 -0.40087012D-01 -0.22972751D+00 -0.17614048D+00 -0.87906445D-01 -0.21519578D+00 -0.16499848D+00 -0.82345804D-01 0.61230891D-03 0.46947963D-03 0.23430324D-03 -0.15402888D-01 0.73059733D-02 -0.39216864D-02 -0.29511633D-04 -0.22015119D-02 0.13131636D-01 -0.18597292D-02 0.25949884D-01 0.12149694D-03 -0.36531389D-04 -0.16167896D-05 -0.29826611D-05 -0.48149398D-05 -0.62676210D-05 -0.53481723D-05 -0.18465954D-05 -0.12338157D-05 -0.56866451D-06 0.15945946D-05 -0.12759710D-03 -0.97833360D-04 -0.48825703D-04 0.12350026D+00 0.94692164D-01 0.47258026D-01 -0.72176393D-06 -0.55340280D-06 -0.27618678D-06 0.15437498D-05 0.12515309D-04 -0.10700128D-01 -0.18014152D-06 0.85544044D-05 -0.10676314D-04 -0.18814384D-05 0.20360924D-01 -0.54258023D-07 -0.50944201D-04 -0.14752766D-01 -0.25023483D-01 -0.28488351D-01 -0.64367602D-02 0.14761601D-01 0.25038469D-01 0.28505412D-01 0.64363000D-02 0.20595710D-01 0.37994957D-01 0.61541918D-01 0.81110705D-01 0.69629306D-01 0.23667793D-01 0.29401509D-01 0.13206962D-01 -0.39129556D-01 0.47648397D+00 0.36777987D+00 0.15612732D+00 0.12519833D+01 0.96635831D+00 0.41023163D+00 0.24196617D-02 0.18676449D-02 0.79283946D-03 -0.23177465D-01 0.23526973D-01 0.69539313D-01 0.14490352D-03 0.10465842D-05 0.13202755D-01 0.68121553D-03 0.91691462D-02 0.40013865D-04 0.47888041D-04 0.90637624D-05 0.16720825D-04 0.27083374D-04 0.35695208D-04 0.30642472D-04 0.10415725D-04 0.17795304D-04 0.79935320D-05 -0.23683218D-04 0.66393754D-03 0.51246816D-03 0.21754937D-03 0.15141031D+00 0.11686786D+00 0.49611922D-01 -0.69085820D-05 -0.53324719D-05 -0.22637034D-05 -0.10551234D-05 0.38567937D-04 0.10009581D-01 -0.35794221D-06 0.48852844D-05 -0.36807110D-05 -0.17349028D-05 0.52481402D-02 -0.12411489D-06 0.18610500D-05 -0.20604571D-01 -0.38011304D-01 -0.61568397D-01 -0.81145603D-01 -0.69659264D-01 -0.23677976D-01 -0.29414844D-01 -0.13212952D-01 0.39147303D-01 -0.47599422D+00 -0.36740185D+00 -0.15596685D+00 0.12529108D+01 0.96707420D+00 0.41053553D+00 -0.24524827D-02 -0.18929782D-02 -0.80359379D-03 0.23188504D-01 -0.23492869D-01 0.69592177D-01 -0.14688696D-03 0.86964864D-05 -0.13216871D-01 -0.67997874D-03 0.91636109D-02 -0.40375634D-04 0.48625118D-04 -0.29904497D-05 -0.55167958D-05 -0.89058190D-05 -0.11592730D-04 -0.98920977D-05 -0.34155036D-05 -0.21610834D-05 -0.99604137D-06 0.27930040D-05 -0.16269100D-04 -0.12474114D-04 -0.62254572D-05 -0.13783239D+00 -0.10568114D+00 -0.52742294D-01 -0.55472292D-05 -0.42532635D-05 -0.21226766D-05 -0.28726913D-05 0.43278264D-05 -0.84190874D-02 0.18226225D-05 -0.43327012D-05 -0.16222308D-03 0.16406401D-03 0.27761516D-02 -0.58436491D-05 0.84144384D-02 0.15339063D-03 0.26017954D-03 0.29620521D-03 0.76982813D-04 0.10230585D-01 0.17353009D-01 0.19755788D-01 0.53878501D-02 -0.10388483D-01 -0.17620834D-01 -0.20060697D-01 -0.54701000D-02 MO 24 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.495560 -0.65320800D-04 -0.12050412D-03 -0.19453102D-03 -0.25322158D-03 -0.21607443D-03 -0.74605310D-04 -0.13551767D-03 -0.62459972D-04 0.17514428D-03 0.27429458D-02 0.21031169D-02 0.10496027D-02 0.10925475D-02 0.83769610D-03 0.41806906D-03 0.22977321D+00 0.17617553D+00 0.87923934D-01 -0.10319310D-03 0.17548498D-04 0.43888350D-04 0.13470361D-01 -0.52982404D-04 0.12436963D-04 0.87711482D-05 -0.93606353D-05 -0.12162885D-01 0.23525375D-02 0.25463229D-04 0.46974686D-04 0.75831708D-04 0.98710352D-04 0.84229722D-04 0.29082499D-04 0.33632798D-04 0.15501326D-04 -0.43467336D-04 -0.88486809D-03 -0.67846073D-03 -0.33859945D-03 -0.60776507D-03 -0.46599571D-03 -0.23256452D-03 0.88423300D-01 0.67797378D-01 0.33835643D-01 0.17487180D-04 -0.16065003D-03 0.42638503D-04 0.45107277D-02 -0.22639287D-04 -0.54646345D-04 0.86556559D-04 -0.11820164D-03 -0.92493511D-02 -0.31837134D-02 -0.77356057D-05 -0.14270682D-04 -0.23037306D-04 -0.29987727D-04 -0.25588582D-04 -0.88351224D-05 0.66991499D-04 0.30876321D-04 -0.86580426D-04 -0.10817543D-03 -0.82942055D-04 -0.41393899D-04 -0.20561375D-05 -0.15765158D-05 -0.78679189D-06 0.65018679D-01 0.49852199D-01 0.24879741D-01 0.27733886D-03 -0.40377735D-04 0.27223810D-07 0.31492552D-02 -0.27406191D-04 -0.10711361D-03 0.83131189D-04 0.61765269D-07 -0.49213714D-02 -0.58268881D-05 0.25453879D-04 0.46957437D-04 0.75803862D-04 0.98674105D-04 0.84198793D-04 0.29071820D-04 0.33701770D-04 0.15533115D-04 -0.43556476D-04 -0.88312666D-03 -0.67712551D-03 -0.33793308D-03 0.60978534D-03 0.46754472D-03 0.23333758D-03 0.88453457D-01 0.67820501D-01 0.33847183D-01 0.17751992D-04 -0.16047510D-03 -0.42711248D-04 0.45132088D-02 -0.22647575D-04 -0.54762921D-04 0.86518914D-04 0.11851891D-03 -0.92521150D-02 0.31804068D-02 -0.65122484D-04 -0.12013827D-03 -0.19394041D-03 -0.25245279D-03 -0.21541843D-03 -0.74378805D-04 -0.13512664D-03 -0.62279745D-04 0.17463891D-03 0.27419270D-02 0.21023357D-02 0.10492128D-02 -0.10943042D-02 -0.83904304D-03 -0.41874128D-03 0.22979942D+00 0.17619562D+00 0.87933964D-01 -0.10334338D-03 0.17607316D-04 -0.43770293D-04 0.13472884D-01 -0.53144944D-04 0.12455935D-04 0.88843325D-05 0.97061396D-05 -0.12164930D-01 -0.23611099D-02 -0.10076813D-04 -0.18589753D-04 -0.30009625D-04 -0.39063615D-04 -0.33333054D-04 -0.11509102D-04 -0.37158296D-04 -0.17126224D-04 0.48023721D-04 -0.38606047D-03 -0.29600668D-03 -0.14772808D-03 0.46309206D-06 0.35506962D-06 0.17720463D-06 0.28585807D+00 0.21917784D+00 0.10938510D+00 -0.38857707D-04 0.11414786D-03 0.31734867D-07 0.17574748D-01 0.17295505D-03 -0.72583207D-04 -0.67003180D-04 0.10609138D-06 -0.10758760D-01 -0.29888224D-05 -0.16491161D-03 -0.27972130D-03 -0.31845281D-03 -0.99224332D-04 -0.16518594D-03 -0.28018662D-03 -0.31898256D-03 -0.99588185D-04 -0.19430097D-04 -0.35844634D-04 -0.58058956D-04 -0.76520248D-04 -0.65688638D-04 -0.22328316D-04 -0.35855731D-04 -0.16106156D-04 0.47719279D-04 0.10205519D-01 0.78772527D-02 0.33439958D-02 -0.78757561D-02 -0.60789969D-02 -0.25806129D-02 0.11832723D+01 0.91332290D+00 0.38771740D+00 0.19749273D-04 0.60993035D-03 -0.45431308D-03 0.67690014D-01 0.12770966D-03 -0.13741409D-03 0.19198449D-04 0.14023721D-03 0.11962352D-01 0.22429930D-01 0.95759847D-04 0.17665772D-03 0.28613942D-03 0.37712459D-03 0.32374177D-03 0.11004351D-03 0.12075926D-03 0.54244255D-04 -0.16071475D-03 0.11988314D-01 0.92533237D-02 0.39281558D-02 0.49360093D-05 0.38099180D-05 0.16173596D-05 0.14951398D+01 0.11540416D+01 0.48990560D+00 -0.74880363D-04 0.67403741D-03 0.28723793D-06 0.85059731D-01 0.18079794D-03 -0.14013410D-04 -0.61297781D-04 0.12930142D-06 0.31941327D-01 0.51485569D-05 -0.19615410D-04 -0.36186499D-04 -0.58612688D-04 -0.77250053D-04 -0.66315137D-04 -0.22541270D-04 -0.36199863D-04 -0.16260737D-04 0.48177273D-04 0.10193980D-01 0.78683461D-02 0.33402149D-02 0.78945355D-02 0.60934919D-02 0.25867663D-02 0.11829524D+01 0.91307598D+00 0.38761259D+00 0.19851136D-04 0.60925486D-03 0.45538170D-03 0.67670977D-01 0.12771436D-03 -0.13758561D-03 0.19371977D-04 -0.13989719D-03 0.11961579D-01 -0.22423184D-01 0.77272795D-05 0.14255322D-04 0.23012510D-04 0.29955450D-04 0.25561040D-04 0.88256127D-05 0.32481967D-04 0.14970909D-04 -0.41979991D-04 -0.12044192D-02 -0.92347228D-03 -0.46087739D-03 -0.16955432D-05 -0.13000350D-05 -0.64880857D-06 0.36540161D-01 0.28016677D-01 0.13982286D-01 -0.61178821D-05 -0.49573260D-04 -0.28744217D-06 0.19410283D-02 0.28839879D-04 -0.11231085D-02 0.10966589D-02 0.15154704D-05 -0.86582643D-03 -0.86876092D-04 0.30765862D-02 0.52184726D-02 0.59410466D-02 0.18086533D-02 -0.16246827D-02 -0.27557694D-02 -0.31373460D-02 -0.95242795D-03 -0.15550116D-02 -0.26375939D-02 -0.30028075D-02 -0.91109999D-03 MO 25 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.473439 -0.34077773D-02 -0.62866836D-02 -0.10148657D-01 -0.13210535D-01 -0.11272574D-01 -0.38921489D-02 -0.64626848D-02 -0.29786455D-02 0.83524329D-02 0.14836742D+00 0.11375873D+00 0.56773577D-01 0.10095255D+00 0.77404010D-01 0.38630026D-01 -0.24337144D-02 -0.18660179D-02 -0.93127369D-03 -0.70008078D-02 0.12191743D-02 0.21596558D-02 -0.10152274D-03 -0.23487308D-04 -0.19600849D-02 -0.11159851D-02 -0.16586595D-01 0.31241888D-03 0.57001083D-04 0.11173714D-01 0.20613320D-01 0.33276290D-01 0.43315842D-01 0.36961486D-01 0.12761913D-01 0.16167491D-01 0.74515819D-02 -0.20895014D-01 -0.19401265D+00 -0.14875659D+00 -0.74239966D-01 -0.27815061D+00 -0.21326824D+00 -0.10643580D+00 0.40975204D-02 0.31417187D-02 0.15679378D-02 -0.96900369D-02 -0.13333064D-01 -0.72155400D-02 0.21588445D-03 0.10825814D-02 -0.50615599D-02 0.16830922D-02 -0.17697297D-01 0.25223985D-03 -0.51102692D-04 -0.10398558D-01 -0.19183309D-01 -0.30967809D-01 -0.40310885D-01 -0.34397351D-01 -0.11876579D-01 -0.14275737D-01 -0.65796740D-02 0.18450093D-01 -0.21495441D+00 -0.16481341D+00 -0.82253442D-01 0.55011519D-04 0.42179343D-04 0.21050449D-04 0.76895785D-02 0.58958811D-02 0.29424579D-02 0.20929448D-01 -0.88217935D-02 -0.23207852D-04 0.60894391D-03 0.95421237D-02 -0.10522138D-01 -0.24284230D-02 -0.10125761D-04 0.55664462D-03 -0.21904751D-05 0.11214300D-01 0.20688193D-01 0.33397158D-01 0.43473177D-01 0.37095740D-01 0.12808268D-01 0.16221087D-01 0.74762842D-02 -0.20964281D-01 -0.19448316D+00 -0.14911735D+00 -0.74420010D-01 0.27826008D+00 0.21335218D+00 0.10647769D+00 0.41108499D-02 0.31519390D-02 0.15730385D-02 -0.97815845D-02 -0.13351001D-01 0.72073848D-02 0.21724038D-03 0.10877355D-02 -0.50760731D-02 0.16927848D-02 0.17709195D-01 0.25232077D-03 0.49907894D-04 -0.34457057D-02 -0.63566541D-02 -0.10261611D-01 -0.13357568D-01 -0.11398037D-01 -0.39354683D-02 -0.65193527D-02 -0.30047637D-02 0.84256710D-02 0.14863994D+00 0.11396768D+00 0.56877860D-01 -0.10080811D+00 -0.77293267D-01 -0.38574757D-01 -0.24202333D-02 -0.18556814D-02 -0.92611507D-03 -0.69455554D-02 0.12361709D-02 -0.21495967D-02 -0.10094947D-03 -0.39696791D-04 -0.19630784D-02 -0.11213565D-02 0.16582840D-01 0.31204726D-03 -0.58291576D-04 0.16125225D-01 0.29747892D-01 0.48022321D-01 0.62510793D-01 0.53340573D-01 0.18417218D-01 0.27808339D-01 0.12816838D-01 -0.35939751D-01 -0.20293266D+00 -0.15559589D+00 -0.77653254D-01 -0.37365034D-04 -0.28649138D-04 -0.14297928D-04 -0.24327466D-02 -0.18652758D-02 -0.93090336D-03 -0.14623461D-01 0.34199805D-02 0.98874535D-05 -0.24053835D-03 0.19442760D-01 -0.99607893D-02 -0.12470426D-02 -0.12733698D-04 0.16976521D-03 -0.63262889D-06 -0.37151353D-01 -0.63015726D-01 -0.71741177D-01 -0.22409799D-01 -0.37198851D-01 -0.63096291D-01 -0.71832897D-01 -0.22430924D-01 0.13437115D-02 0.24788783D-02 0.40151362D-02 0.52918489D-02 0.45427760D-02 0.15441413D-02 0.14793460D-02 0.66451239D-03 -0.19688157D-02 0.65206215D+00 0.50330200D+00 0.21365822D+00 -0.11917539D+00 -0.91986952D-01 -0.39049653D-01 -0.14605864D-01 -0.11273711D-01 -0.47858364D-02 -0.11302284D-02 0.38320221D-01 -0.63684659D-02 -0.85524007D-03 0.64261271D-02 -0.38290905D-02 -0.20945611D-03 0.10560276D-01 -0.11515502D-03 -0.27709579D-03 0.84658827D-02 0.15617857D-01 0.25296854D-01 0.33340619D-01 0.28621180D-01 0.97286650D-02 0.10915018D-01 0.49029536D-02 -0.14526459D-01 0.95897221D+00 0.74019420D+00 0.31422203D+00 0.91127863D-03 0.70338135D-03 0.29859450D-03 -0.24956448D-01 -0.19262934D-01 -0.81773650D-02 -0.61086075D-02 0.54371483D-01 0.52538052D-04 -0.14246935D-02 0.98179772D-02 -0.21592721D-02 0.10056777D-02 0.16906035D-04 -0.47622882D-03 -0.22702676D-06 0.13524973D-02 0.24950863D-02 0.40413890D-02 0.53264493D-02 0.45724787D-02 0.15542375D-02 0.14875564D-02 0.66820044D-03 -0.19797427D-02 0.65127965D+00 0.50269801D+00 0.21340182D+00 0.11812268D+00 0.91174410D-01 0.38704718D-01 -0.14698728D-01 -0.11345390D-01 -0.48162649D-02 -0.11474622D-02 0.38273028D-01 0.63116678D-02 -0.86075552D-03 0.64212835D-02 -0.38155277D-02 -0.20692656D-03 -0.10547307D-01 -0.11614678D-03 0.27874276D-03 -0.75358805D-02 -0.13902228D-01 -0.22442507D-01 -0.29213475D-01 -0.24927911D-01 -0.86070087D-02 -0.11440586D-01 -0.52729554D-02 0.14785917D-01 0.13585942D+00 0.10416839D+00 0.51987327D-01 -0.58911861D-03 -0.45169879D-03 -0.22542935D-03 0.26287484D-01 0.20155575D-01 0.10059045D-01 0.61144371D-02 0.85895606D-02 -0.10274044D-05 0.82756291D-03 -0.49509335D-02 0.13826455D-02 0.51330563D-02 -0.30660756D-04 0.24623783D-03 -0.25645111D-04 0.98794802D-02 0.16757468D-01 0.19077785D-01 0.51468574D-02 0.57364068D-02 0.97300317D-02 0.11077297D-01 0.16568031D-02 0.56607345D-02 0.96016771D-02 0.10931170D-01 0.15753339D-02 MO 26 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.463968 0.21237161D-04 0.39178416D-04 0.63246111D-04 0.82327645D-04 0.70250328D-04 0.24255750D-04 0.82245690D-04 0.37906963D-04 -0.10629508D-03 -0.96304795D-03 -0.73840408D-03 -0.36851539D-03 -0.45213655D-03 -0.34666963D-03 -0.17301244D-03 -0.20360775D+00 -0.15611351D+00 -0.77911581D-01 0.67572733D-04 -0.11437584D-03 -0.17027662D-03 -0.16194807D-01 0.44878837D-04 -0.95760424D-04 0.18031538D-04 -0.38642282D-04 0.12546199D-01 -0.24729861D-01 0.33860621D-04 0.62466234D-04 0.10083987D-03 0.13126355D-03 0.11200742D-03 0.38673472D-04 0.96146923D-05 0.44314029D-05 -0.12426116D-04 -0.69592730D-03 -0.53359291D-03 -0.26630026D-03 0.23901266D-03 0.18325975D-03 0.91459457D-04 -0.64719073D-01 -0.49622480D-01 -0.24765095D-01 -0.34420265D-03 -0.13943271D-03 0.17946549D-03 -0.27921522D-02 0.49740723D-04 -0.14583050D-04 -0.35528995D-04 0.58438059D-04 0.81636996D-02 -0.21350771D-02 0.32691589D-06 0.60309598D-06 0.97358392D-06 0.12673170D-05 0.10814039D-05 0.37338277D-06 0.87237850D-06 0.40207845D-06 -0.11274700D-05 0.96240728D-05 0.73791286D-05 0.36827023D-05 -0.66936008D-03 -0.51322286D-03 -0.25613417D-03 0.28021734D-04 0.21485288D-04 0.10722665D-04 0.13897160D-05 -0.43307299D-06 0.37857176D-03 0.39794312D-05 -0.45664563D-06 0.35805594D-06 0.74784370D-07 -0.35570645D-04 0.48138490D-05 -0.52818469D-02 -0.34793979D-04 -0.64188098D-04 -0.10361949D-03 -0.13488179D-03 -0.11509488D-03 -0.39739495D-04 -0.11126357D-04 -0.51281279D-05 0.14379806D-04 0.70974624D-03 0.54418840D-03 0.27158815D-03 0.21661577D-03 0.16608723D-03 0.82889170D-04 0.64763458D-01 0.49656511D-01 0.24782079D-01 0.34398990D-03 0.13995431D-03 0.17695349D-03 0.27929345D-02 -0.49642000D-04 0.14656934D-04 0.35462614D-04 0.56961919D-04 -0.81635454D-02 -0.21358101D-02 -0.20889956D-04 -0.38537890D-04 -0.62212104D-04 -0.80981675D-04 -0.69101810D-04 -0.23859194D-04 -0.81527441D-04 -0.37575923D-04 0.10536681D-03 0.95372070D-03 0.73125254D-03 0.36494627D-03 -0.44505330D-03 -0.34123864D-03 -0.17030200D-03 0.20360631D+00 0.15611240D+00 0.77911030D-01 -0.66591218D-04 0.11401943D-03 -0.16903767D-03 0.16196030D-01 -0.44911952D-04 0.95798399D-04 -0.17785587D-04 -0.40237478D-04 -0.12539087D-01 -0.24739183D-01 -0.57116328D-06 -0.10536847D-05 -0.17009738D-05 -0.22141625D-05 -0.18893489D-05 -0.65234677D-06 -0.10940039D-05 -0.50422539D-06 0.14139006D-05 0.62843166D-05 0.48184154D-05 0.24047270D-05 -0.22118516D-04 -0.16959075D-04 -0.84637670D-05 -0.76458161D-04 -0.58623269D-04 -0.29257120D-04 -0.60230245D-06 -0.40376202D-06 -0.99025874D-04 -0.49908453D-05 -0.66297937D-06 0.26102634D-06 0.55674286D-07 -0.15473915D-03 0.86960073D-05 -0.17724851D-01 0.20820967D-04 0.35316302D-04 0.40206361D-04 -0.67883457D-05 -0.18029745D-04 -0.30581860D-04 -0.34816367D-04 0.72847625D-05 0.12422851D-04 0.22917669D-04 0.37120646D-04 0.48924080D-04 0.41998768D-04 0.14275859D-04 -0.64331193D-04 -0.28897143D-04 0.85616387D-04 0.85793092D-02 0.66220427D-02 0.28111429D-02 -0.57056277D-02 -0.44039572D-02 -0.18695369D-02 0.19186463D+01 0.14809301D+01 0.62867403D+00 -0.11635783D-03 0.47916424D-03 -0.34759663D-03 0.11115237D+00 0.12860108D-03 -0.37993165D-04 0.62726972D-04 0.74800922D-04 0.18171719D-01 0.30089056D-01 -0.21275688D-06 -0.39249380D-06 -0.63573756D-06 -0.83788617D-06 -0.71928153D-06 -0.24449198D-06 -0.32651434D-06 -0.14666807D-06 0.43454780D-06 -0.32673011D-04 -0.25219055D-04 -0.10705816D-04 0.23968207D-02 0.18500148D-02 0.78535525D-03 -0.55257162D-03 -0.42650904D-03 -0.18105861D-03 0.45694381D-07 -0.18448823D-05 0.17855954D-03 -0.31383739D-04 -0.25128860D-06 0.11543226D-06 0.49397424D-07 0.58075950D-04 -0.97985653D-05 -0.30434279D-02 -0.12578884D-04 -0.23205519D-04 -0.37586887D-04 -0.49538574D-04 -0.42526280D-04 -0.14455166D-04 0.64593858D-04 0.29015131D-04 -0.85965960D-04 -0.86191941D-02 -0.66528284D-02 -0.28242118D-02 -0.57202954D-02 -0.44152786D-02 -0.18743430D-02 -0.19184430D+01 -0.14807733D+01 -0.62860744D+00 0.11718134D-03 -0.48129588D-03 -0.34839933D-03 -0.11114045D+00 -0.12919957D-03 0.38011054D-04 -0.63114352D-04 0.75298478D-04 -0.18171525D-01 0.30085551D-01 0.33621127D-06 0.62024415D-06 0.10012664D-05 0.13033513D-05 0.11121520D-05 0.38399937D-06 0.38654071D-06 0.17815626D-06 -0.49956875D-06 -0.83802826D-05 -0.64254691D-05 -0.32067594D-05 0.86162310D-03 0.66063794D-03 0.32970464D-03 0.94879853D-04 0.72747853D-04 0.36306277D-04 -0.40128840D-06 -0.52606729D-06 -0.29758730D-03 -0.43203268D-05 0.24644780D-06 -0.25006813D-05 0.23027705D-05 0.11482660D-03 0.19862455D-05 -0.32514939D-03 0.81396423D-05 0.13806374D-04 0.15718069D-04 0.12650076D-04 -0.11162574D-03 -0.18933839D-03 -0.21555506D-03 -0.38122702D-03 0.10249802D-03 0.17385605D-03 0.19792896D-03 0.36864231D-03 MO 27 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.447269 0.45512262D-05 0.83961236D-05 0.13553947D-04 0.17643212D-04 0.15054984D-04 0.51981243D-05 0.86855872D-04 0.40031792D-04 -0.11225332D-03 0.53694274D-04 0.41169364D-04 0.20546398D-04 0.74857823D-03 0.57396230D-03 0.28644742D-03 -0.92327653D-01 -0.70790988D-01 -0.35329665D-01 0.37042463D-03 0.10656460D-03 -0.13124549D-03 -0.10073687D-01 0.62840208D-04 -0.79241846D-04 0.57925834D-07 -0.44579111D-03 0.22180472D-02 -0.19918094D-01 0.85564988D-04 0.15785069D-03 0.25481996D-03 0.33169988D-03 0.28304011D-03 0.97726948D-04 0.13909331D-03 0.64107981D-04 -0.17976547D-03 -0.16708145D-02 -0.12810746D-02 -0.63934601D-03 -0.43356809D-02 -0.33243252D-02 -0.16590712D-02 -0.55913422D-01 -0.42870866D-01 -0.21395567D-01 -0.19601987D-03 0.97478891D-04 -0.22745740D-03 -0.29243217D-02 -0.10084923D-03 -0.10209407D-04 -0.46090657D-04 -0.15134419D-03 0.19473685D-02 0.15675357D-02 -0.47470703D-04 -0.87574178D-04 -0.14137188D-03 -0.18402418D-03 -0.15702816D-03 -0.54218052D-04 -0.17090872D-03 -0.78771675D-04 0.22088400D-03 -0.53139454D-02 -0.40743963D-02 -0.20334093D-02 0.78627205D-06 0.60286354D-06 0.30087116D-06 -0.64637107D-01 -0.49559634D-01 -0.24733731D-01 -0.20580201D-03 -0.12849950D-03 -0.40272519D-06 -0.33209540D-02 0.18817346D-03 0.88476943D-04 -0.18930431D-03 -0.69925113D-06 0.24611817D-03 0.12229981D-04 0.86602357D-04 0.15976444D-03 0.25790934D-03 0.33572133D-03 0.28647162D-03 0.98911765D-04 0.14015956D-03 0.64599415D-04 -0.18114350D-03 -0.16808908D-02 -0.12888005D-02 -0.64320176D-03 0.43397015D-02 0.33274078D-02 0.16606097D-02 -0.55920025D-01 -0.42875928D-01 -0.21398093D-01 -0.19961523D-03 0.97874699D-04 0.22776868D-03 -0.29289875D-02 -0.10070951D-03 -0.10327107D-04 -0.45696309D-04 0.15161339D-03 0.19438146D-02 -0.15665302D-02 0.35174067D-05 0.64889285D-05 0.10475143D-04 0.13635523D-04 0.11635217D-04 0.40173607D-05 0.85284599D-04 0.39307594D-04 -0.11022260D-03 0.59353248D-04 0.45508306D-04 0.22711834D-04 -0.74457695D-03 -0.57089438D-03 -0.28491631D-03 -0.92273134D-01 -0.70749186D-01 -0.35308802D-01 0.37220608D-03 0.10807269D-03 0.13105150D-03 -0.10065519D-01 0.62634486D-04 -0.79284636D-04 -0.19235902D-06 0.44554739D-03 0.22091945D-02 0.19904178D-01 0.21692333D-03 0.40018118D-03 0.64601651D-03 0.84092155D-03 0.71755988D-03 0.24775618D-03 0.31334913D-03 0.14442233D-03 -0.40497528D-03 -0.12136631D-02 -0.93055988D-03 -0.46441460D-03 -0.16926470D-05 -0.12978144D-05 -0.64770033D-06 0.14723407D+00 0.11288975D+00 0.56339896D-01 -0.48088682D-03 -0.18414877D-03 -0.40467902D-06 0.16120401D-01 0.58328902D-04 -0.31574059D-04 0.11094710D-03 -0.53372958D-06 -0.36329597D-01 -0.10013941D-04 -0.42252385D-03 -0.71668042D-03 -0.81591532D-03 -0.24297557D-03 -0.42363351D-03 -0.71856261D-03 -0.81805813D-03 -0.24302369D-03 0.52961333D-05 0.97703044D-05 0.15825344D-04 0.20857407D-04 0.17904995D-04 0.60861116D-05 0.39280987D-04 0.17644758D-04 -0.52277847D-04 -0.31971209D-02 -0.24677362D-02 -0.10475860D-02 0.90466280D-02 0.69827484D-02 0.29642672D-02 -0.12579801D+01 -0.97098704D+00 -0.41219658D+00 0.77882294D-04 -0.18749280D-03 0.53634864D-03 -0.72373730D-01 -0.83637555D-04 0.55698870D-04 -0.29836402D-04 0.25120296D-04 -0.12260686D-01 -0.17030845D-01 0.59903933D-04 0.11051075D-03 0.17899858D-03 0.23591564D-03 0.20252126D-03 0.68839282D-04 -0.19044516D-04 -0.85546696D-05 0.25345755D-04 0.11765066D-01 0.90810075D-02 0.38550053D-02 0.13902426D-04 0.10730754D-04 0.45553443D-05 0.22309106D+01 0.17219551D+01 0.73099225D+00 -0.21258823D-03 0.64582156D-03 0.88234663D-06 0.12897822D+00 0.19742898D-03 0.60681241D-04 -0.50610012D-04 0.26662175D-06 0.37433422D-01 0.70003491D-05 0.55083148D-05 0.10161737D-04 0.16459362D-04 0.21693027D-04 0.18622331D-04 0.63299423D-05 0.39288200D-04 0.17647998D-04 -0.52287445D-04 -0.32149439D-02 -0.24814930D-02 -0.10534259D-02 -0.90864156D-02 -0.70134589D-02 -0.29773042D-02 -0.12588851D+01 -0.97168554D+00 -0.41249310D+00 0.77261844D-04 -0.18836752D-03 -0.53839901D-03 -0.72425973D-01 -0.83556678D-04 0.56203264D-04 -0.29787756D-04 -0.25074636D-04 -0.12268580D-01 0.17043096D-01 -0.90142659D-04 -0.16629561D-03 -0.26845267D-03 -0.34944561D-03 -0.29818257D-03 -0.10295528D-03 -0.22806653D-03 -0.10511565D-03 0.29475527D-03 0.64502403D-02 0.49456352D-02 0.24682186D-02 -0.19188246D-04 -0.14712330D-04 -0.73424839D-05 -0.84317491D-01 -0.64649304D-01 -0.32264534D-01 -0.73852672D-04 0.36625805D-03 0.20633147D-06 -0.49584252D-02 -0.94414411D-04 0.29089906D-02 -0.26764040D-02 -0.47483724D-05 -0.13275823D-02 0.21945522D-03 -0.76448302D-02 -0.12967079D-01 -0.14762561D-01 -0.47838118D-02 0.42406068D-02 0.71928718D-02 0.81888303D-02 0.26752369D-02 0.40597703D-02 0.68861389D-02 0.78396257D-02 0.25592584D-02 MO 28 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.431522 -0.31067021D-02 -0.57312588D-02 -0.92520288D-02 -0.12043392D-01 -0.10276649D-01 -0.35482798D-02 -0.71449299D-02 -0.32930917D-02 0.92341728D-02 0.66656491D-02 0.51107969D-02 0.25506459D-02 -0.23636008D-01 -0.18122592D-01 -0.90444436D-02 -0.62671384D-02 -0.48052442D-02 -0.23981536D-02 -0.30981676D-02 0.67441048D-02 0.80135132D-02 -0.19448820D-02 -0.10986171D-01 0.88680594D-02 0.78677616D-03 0.13451908D-01 0.67877107D-02 -0.63548014D-02 0.12261993D-01 0.22620983D-01 0.36517281D-01 0.47534650D-01 0.40561403D-01 0.14004878D-01 0.18276969D-01 0.84238384D-02 -0.23621322D-01 0.12555711D-02 0.96269231D-03 0.48045093D-03 0.44520343D-01 0.34135376D-01 0.17035945D-01 0.66281822D-01 0.50820697D-01 0.25363090D-01 -0.19962252D-01 0.21183346D-02 0.40435795D-02 0.48718340D-02 0.66618057D-02 -0.34304861D-02 0.21108627D-02 -0.42965700D-02 0.46154146D-02 -0.72396476D-02 -0.12452363D-01 -0.22972178D-01 -0.37084219D-01 -0.48272634D-01 -0.41191126D-01 -0.14222306D-01 -0.18827194D-01 -0.86774367D-02 0.24332438D-01 0.22671006D+00 0.17382689D+00 0.86751801D-01 -0.24897358D-03 -0.19089715D-03 -0.95271055D-04 0.16624901D+00 0.12746919D+00 0.63616061D-01 0.16114465D-01 0.20748447D-02 -0.42917893D-04 0.95890447D-02 0.14424099D-02 -0.55892919D-02 -0.12622611D-02 0.24812438D-04 0.11057764D-01 -0.64120025D-04 0.12264986D-01 0.22626504D-01 0.36526194D-01 0.47546251D-01 0.40571302D-01 0.14008296D-01 0.18272499D-01 0.84217782D-02 -0.23615545D-01 0.10800415D-02 0.82810736D-03 0.41328361D-03 -0.43797392D-01 -0.33581062D-01 -0.16759304D-01 0.66400920D-01 0.50912014D-01 0.25408663D-01 -0.19997648D-01 0.20859774D-02 -0.40520434D-02 0.48984720D-02 0.66732540D-02 -0.34625856D-02 0.21130327D-02 0.43291308D-02 0.46284370D-02 0.72339136D-02 -0.31473991D-02 -0.58063368D-02 -0.93732280D-02 -0.12201158D-01 -0.10411270D-01 -0.35947614D-02 -0.72089539D-02 -0.33226002D-02 0.93169179D-02 0.67285037D-02 0.51589898D-02 0.25746975D-02 0.23816153D-01 0.18260716D-01 0.91133770D-02 -0.62604009D-02 -0.48000783D-02 -0.23955755D-02 -0.30115728D-02 0.67155402D-02 -0.79571234D-02 -0.19542589D-02 -0.10983134D-01 0.88491983D-02 0.78125243D-03 -0.13420130D-01 0.67954348D-02 0.63655115D-02 -0.12524344D-01 -0.23104968D-01 -0.37298583D-01 -0.48551673D-01 -0.41429230D-01 -0.14304518D-01 -0.19223492D-01 -0.88600901D-02 0.24844617D-01 0.67518120D-01 0.51768612D-01 0.25836166D-01 0.17659420D-04 0.13540123D-04 0.67574705D-05 0.66723119D-02 0.51159056D-02 0.25531954D-02 0.32416341D-01 0.11198152D-01 0.42650269D-04 0.14967295D-02 -0.37561403D-02 -0.77697333D-03 -0.11008308D-02 -0.53524281D-04 -0.18456219D-03 -0.16371074D-05 -0.19608400D-02 -0.33259558D-02 -0.37864831D-02 -0.47599511D-03 -0.20359839D-02 -0.34534140D-02 -0.39315898D-02 -0.54649090D-03 0.15326581D-03 0.28274469D-03 0.45797264D-03 0.60359646D-03 0.51815605D-03 0.17612714D-03 -0.18901875D-02 -0.84905965D-03 0.25155919D-02 0.85220437D+00 0.65778417D+00 0.27923790D+00 -0.61086622D+00 -0.47150442D+00 -0.20015974D+00 -0.41027698D+00 -0.31667721D+00 -0.13443358D+00 -0.35420851D-02 0.48408242D-01 -0.35541356D-01 -0.24314003D-01 0.76506020D-02 -0.51191474D-02 0.14818068D-02 0.61196837D-02 -0.31167257D-02 -0.53925795D-02 -0.25165146D-02 -0.46424649D-02 -0.75195821D-02 -0.99106207D-02 -0.85077504D-02 -0.28918812D-02 -0.38464488D-02 -0.17277992D-02 0.51191193D-02 -0.13410442D+00 -0.10351011D+00 -0.43941382D-01 0.24046344D-02 0.18560459D-02 0.78791555D-03 0.10251909D+00 0.79130593D-01 0.33591962D-01 0.55567460D-02 -0.66467841D-02 0.13409750D-03 0.52937396D-02 0.86942941D-03 -0.19736931D-02 0.12465811D-02 0.32439550D-04 0.13190383D-02 0.65884123D-06 0.16179715D-03 0.29848332D-03 0.48346511D-03 0.63719489D-03 0.54699854D-03 0.18593103D-03 -0.18797478D-02 -0.84437020D-03 0.25016980D-02 0.85300610D+00 0.65840299D+00 0.27950060D+00 0.61142109D+00 0.47193270D+00 0.20034155D+00 -0.40959044D+00 -0.31614729D+00 -0.13420862D+00 -0.35651418D-02 0.48440959D-01 0.35571528D-01 -0.24276565D-01 0.76600856D-02 -0.51226247D-02 0.14815273D-02 -0.61088744D-02 -0.31133455D-02 0.53857292D-02 0.24810972D-03 0.45771398D-03 0.73889229D-03 0.96181821D-03 0.82072122D-03 0.28337531D-03 0.69392923D-03 0.31983135D-03 -0.89684048D-03 -0.24647581D+00 -0.18898202D+00 -0.94315271D-01 -0.13222349D-03 -0.10138059D-03 -0.50596018D-04 0.38603016D+00 0.29598345D+00 0.14771648D+00 0.55604501D-02 -0.14548372D-01 0.92416635D-05 0.21298940D-01 0.85395653D-02 -0.19308743D-01 0.73312089D-02 0.14888655D-04 0.12303165D-01 -0.10120136D-02 0.28533113D-01 0.48397560D-01 0.55098911D-01 0.18967172D-01 -0.28587053D-01 -0.48489052D-01 -0.55203072D-01 -0.19649513D-01 -0.27764398D-01 -0.47093674D-01 -0.53614483D-01 -0.19116130D-01 MO 29 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.430807 0.34266546D-02 0.63215086D-02 0.10204875D-01 0.13283715D-01 0.11335018D-01 0.39137094D-02 0.76688039D-02 0.35345447D-02 -0.99112324D-02 -0.10347016D-01 -0.79334356D-02 -0.39593404D-02 0.21558800D-01 0.16529920D-01 0.82495888D-02 -0.45947048D-02 -0.35229282D-02 -0.17581881D-02 0.25302208D-02 -0.90064074D-02 -0.97839745D-02 -0.15888963D-02 0.12628157D-01 -0.10461009D-01 -0.66331891D-03 -0.13530810D-01 0.56886531D-02 -0.52110983D-02 -0.14869621D-01 -0.27431546D-01 -0.44283021D-01 -0.57643336D-01 -0.49187163D-01 -0.16983145D-01 -0.22394042D-01 -0.10321394D-01 0.28942265D-01 0.55881781D-02 0.42846605D-02 0.21383459D-02 -0.25193269D-01 -0.19316601D-01 -0.96403375D-02 0.58177087D-01 0.44606500D-01 0.22261770D-01 0.23856427D-01 -0.36276723D-02 -0.25510523D-02 0.45061116D-02 -0.69116274D-02 0.39986554D-02 -0.21568366D-02 0.56514877D-02 0.40460609D-02 -0.65006916D-02 0.14533091D-01 0.26810716D-01 0.43280808D-01 0.56338752D-01 0.48073960D-01 0.16598783D-01 0.23160550D-01 0.10674677D-01 -0.29932907D-01 -0.22795846D+00 -0.17478409D+00 -0.87229511D-01 0.19181540D-02 0.14707188D-02 0.73399177D-03 0.14658110D+00 0.11238909D+00 0.56090034D-01 -0.14741685D-01 -0.14528957D-02 0.70863754D-04 0.82383945D-02 -0.29723857D-02 0.52108126D-02 0.30850920D-02 -0.10108038D-03 0.94566095D-02 -0.61411991D-04 -0.14903791D-01 -0.27494584D-01 -0.44384783D-01 -0.57775800D-01 -0.49300194D-01 -0.17022172D-01 -0.22394516D-01 -0.10321612D-01 0.28942877D-01 0.66876547D-02 0.51276694D-02 0.25590664D-02 0.20278803D-01 0.15548500D-01 0.77597913D-02 0.58267796D-01 0.44676050D-01 0.22296480D-01 0.23992487D-01 -0.36738055D-02 0.24183008D-02 0.45321378D-02 -0.69851792D-02 0.41857400D-02 -0.21809246D-02 -0.59224578D-02 0.40586455D-02 0.64973728D-02 0.37079324D-02 0.68404112D-02 0.11042545D-01 0.14374112D-01 0.12265456D-01 0.42349672D-02 0.81066583D-02 0.37363514D-02 -0.10477119D-01 -0.10734827D-01 -0.82307843D-02 -0.41077382D-02 -0.22785356D-01 -0.17470366D-01 -0.87189370D-02 -0.45837561D-02 -0.35145334D-02 -0.17539985D-02 0.19158156D-02 -0.90188697D-02 0.95457470D-02 -0.15985231D-02 0.12609958D-01 -0.10337830D-01 -0.62160767D-03 0.13253236D-01 0.56954382D-02 0.52232484D-02 0.13304842D-01 0.24544835D-01 0.39622975D-01 0.51577340D-01 0.44011038D-01 0.15195954D-01 0.20066556D-01 0.92486573D-02 -0.25934201D-01 -0.68639879D-01 -0.52628705D-01 -0.26265412D-01 -0.16939235D-03 -0.12987931D-03 -0.64818879D-04 0.60247137D-02 0.46193684D-02 0.23053886D-02 -0.37280309D-01 -0.12668299D-01 -0.17680705D-03 0.14192033D-02 0.34597045D-02 0.11154224D-02 0.14015942D-02 0.38344032D-03 0.31369715D-04 -0.33074419D-05 0.47337858D-02 0.80293968D-02 0.91411844D-02 0.17600198D-02 0.52580932D-02 0.89187213D-02 0.10153649D-01 0.21811866D-02 -0.19425012D-03 -0.35835253D-03 -0.58043761D-03 -0.76500222D-03 -0.65671447D-03 -0.22322472D-03 0.23426531D-02 0.10523042D-02 -0.31177643D-02 -0.10273310D+01 -0.79295772D+00 -0.33662083D+00 0.69214064D+00 0.53423706D+00 0.22679055D+00 -0.33767404D+00 -0.26063776D+00 -0.11064411D+00 0.41532497D-02 -0.58203707D-01 0.40179860D-01 -0.20011141D-01 -0.90030906D-02 0.58196563D-02 -0.17063310D-02 -0.75820420D-02 -0.25405332D-02 -0.44130208D-02 0.27456630D-02 0.50651979D-02 0.82042993D-02 0.10813061D-01 0.92824482D-02 0.31552098D-02 0.46116111D-02 0.20715050D-02 -0.61374501D-02 0.11657408D+00 0.89979103D-01 0.38197295D-01 -0.18018022D-01 -0.13907427D-01 -0.59038829D-02 0.80678723D-01 0.62272840D-01 0.26435628D-01 -0.58755658D-02 0.55614326D-02 -0.10235467D-02 0.40654467D-02 -0.14957098D-02 0.21588265D-02 -0.15706833D-02 -0.25056464D-03 0.98848344D-03 0.12460670D-05 -0.24810053D-03 -0.45769574D-03 -0.74134770D-03 -0.97707768D-03 -0.83877018D-03 -0.28510753D-03 0.22451897D-02 0.10085242D-02 -0.29880532D-02 -0.10328462D+01 -0.79721470D+00 -0.33842797D+00 -0.69634940D+00 -0.53748564D+00 -0.22816962D+00 -0.33702864D+00 -0.26013960D+00 -0.11043263D+00 0.42697951D-02 -0.58469663D-01 -0.40427866D-01 -0.19976307D-01 -0.90612624D-02 0.58804774D-02 -0.16856594D-02 0.75210327D-02 -0.25369577D-02 0.44072825D-02 0.25643410D-03 0.47307084D-03 0.76368301D-03 0.99408837D-03 0.84825741D-03 0.29288290D-03 0.31757679D-03 0.14637085D-03 -0.41043914D-03 0.23835413D+00 0.18275483D+00 0.91207468D-01 0.18920772D-02 0.14507248D-02 0.72401336D-03 0.35864823D+00 0.27498871D+00 0.13723864D+00 -0.67092740D-02 0.14452228D-01 0.79086701D-04 0.20706376D-01 -0.97001100D-02 -0.51643957D-02 0.18187432D-01 0.54804835D-04 0.10389220D-01 -0.10465187D-02 0.43504854D-01 0.73792466D-01 0.84010115D-01 0.28961320D-01 -0.81710295D-02 -0.13859613D-01 -0.15778679D-01 -0.46936708D-02 -0.70849639D-02 -0.12017440D-01 -0.13681430D-01 -0.39504323D-02 MO 30 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.430341 0.15103264D-01 0.27862573D-01 0.44978833D-01 0.58549076D-01 0.49960032D-01 0.17249999D-01 0.23550405D-01 0.10854360D-01 -0.30436759D-01 -0.17860701D-01 -0.13694453D-01 -0.68344916D-02 0.66110880D-01 0.50689630D-01 0.25297678D-01 0.16360230D-03 0.12543986D-03 0.62603283D-04 -0.33284101D-01 -0.22790574D-02 0.11483487D-01 -0.64803542D-04 -0.12544318D-02 0.68435822D-02 0.22556916D-02 0.16397076D-01 0.32853290D-04 -0.16668192D-03 -0.12769371D-02 -0.23556995D-02 -0.38028295D-02 -0.49501540D-02 -0.42239754D-02 -0.14584372D-02 0.50206192D-03 0.23139988D-03 -0.64886942D-03 0.54037650D-01 0.41432642D-01 0.20677792D-01 0.26809903D+00 0.20556133D+00 0.10258951D+00 -0.46488461D-03 -0.35644403D-03 -0.17789055D-03 0.38686071D-02 -0.56292949D-02 0.95233387D-02 0.18097321D-03 -0.38700946D-02 0.98727354D-02 -0.12144371D-02 0.15304263D-01 0.51803966D-04 -0.13411127D-03 0.14882094D-03 0.27454557D-03 0.44320168D-03 0.57691689D-03 0.49228423D-03 0.16997391D-03 0.24732004D-03 0.11398958D-03 -0.31963868D-03 -0.20609244D-02 -0.15801861D-02 -0.78862362D-03 -0.21732542D+00 -0.16663135D+00 -0.83160720D-01 0.11209265D-02 0.85945537D-03 0.42892846D-03 -0.11261048D-03 -0.31703797D-05 -0.18432407D-02 0.62238156D-04 -0.42485448D-04 0.52699703D-04 0.36832586D-04 0.10895135D-01 0.70778877D-04 0.30368725D-03 0.95542696D-03 0.17625762D-02 0.28453445D-02 0.37037931D-02 0.31604533D-02 0.10912286D-02 -0.98875731D-03 -0.45571734D-03 0.12778790D-02 -0.53836207D-01 -0.41278189D-01 -0.20600709D-01 0.26812619D+00 0.20558215D+00 0.10259990D+00 0.13588031D-02 0.10418441D-02 0.51995320D-03 -0.33447919D-02 0.55207241D-02 0.95414673D-02 -0.11077146D-03 0.37360491D-02 -0.97833365D-02 0.11730942D-02 0.15175559D-01 0.99858305D-05 -0.34402856D-04 -0.15030257D-01 -0.27727889D-01 -0.44761411D-01 -0.58266057D-01 -0.49718532D-01 -0.17166614D-01 -0.23397100D-01 -0.10783702D-01 0.30238626D-01 0.17547319D-01 0.13454171D-01 0.67145744D-02 0.65763524D-01 0.50423299D-01 0.25164760D-01 -0.22516804D-03 -0.17264457D-03 -0.86161743D-04 0.33291894D-01 0.20600785D-02 0.11693208D-01 0.41637014D-04 0.15101308D-02 -0.70587082D-02 -0.22632295D-02 0.16647906D-01 0.53652178D-04 -0.88176673D-04 0.13028691D-03 0.24035392D-03 0.38800575D-03 0.50506820D-03 0.43097561D-03 0.14880552D-03 0.19365636D-03 0.89256040D-04 -0.25028325D-03 -0.64836063D-03 -0.49712181D-03 -0.24809862D-03 0.23248633D-01 0.17825577D-01 0.88962123D-02 0.45183171D-04 0.34643589D-04 0.17289579D-04 -0.38396595D-03 -0.13045393D-03 0.17443036D-01 0.10831835D-04 0.35138633D-04 0.65711261D-05 0.15952354D-04 -0.42814419D-01 0.11107164D-05 0.18553291D-03 0.28315152D-01 0.48027856D-01 0.54678017D-01 0.22480457D-01 -0.28166995D-01 -0.47776554D-01 -0.54391918D-01 -0.22421285D-01 -0.28593539D-02 -0.52749348D-02 -0.85440183D-02 -0.11260802D-01 -0.96668105D-02 -0.32858589D-02 -0.58105806D-02 -0.26100741D-02 0.77331214D-02 -0.35953406D+00 -0.27751068D+00 -0.11780688D+00 0.27993010D+00 0.21606741D+00 0.91723414D-01 -0.82992319D-03 -0.64058617D-03 -0.27193713D-03 0.56815434D-02 -0.18227322D-01 0.16536556D-01 -0.80454594D-04 -0.34039913D-02 0.43405783D-02 0.14961016D-02 0.28635253D-02 0.12379241D-04 -0.54158626D-04 0.27300732D-04 0.50364379D-04 0.81577155D-04 0.10751665D-03 0.92297426D-04 0.31372946D-04 0.51437280D-04 0.23105284D-04 -0.68456280D-04 0.43375091D-03 0.33479584D-03 0.14212517D-03 0.20486369D+01 0.15812650D+01 0.67126747D+00 0.57450107D-03 0.44343554D-03 0.18824413D-03 -0.54286799D-04 0.13963268D-04 0.11665619D+00 0.28556252D-04 -0.27277512D-04 0.26806777D-04 -0.18244153D-04 0.28589673D-01 0.68936400D-05 -0.69709997D-04 0.28534914D-02 0.52641196D-02 0.85265004D-02 0.11237714D-01 0.96469906D-02 0.32791219D-02 0.58561093D-02 0.26305253D-02 -0.77937141D-02 0.33727057D+00 0.26032634D+00 0.11051190D+00 0.26556764D+00 0.20498157D+00 0.87017331D-01 -0.42270730D-02 -0.32627170D-02 -0.13850656D-02 -0.55935687D-02 0.16972471D-01 0.15705072D-01 -0.21956386D-03 0.32124976D-02 -0.42167496D-02 -0.15289916D-02 0.30267195D-02 -0.50243353D-04 0.11904370D-04 0.16045708D-04 0.29601199D-04 0.47785513D-04 0.62202539D-04 0.53077540D-04 0.18326399D-04 0.20049725D-04 0.92409001D-05 -0.25912448D-04 0.22074757D-02 0.16925524D-02 0.84470226D-03 -0.19872189D+00 -0.15236734D+00 -0.76041982D-01 0.27423259D-02 0.21026416D-02 0.10493655D-02 -0.98817829D-04 0.13121148D-03 -0.11689412D-01 0.16247591D-03 -0.92161023D-04 -0.27519045D-03 0.39748064D-03 -0.29833058D-02 0.70131748D-04 0.12629778D-01 0.58691557D-03 0.99551989D-03 0.11333642D-02 0.37662269D-03 0.15732405D-01 0.26685137D-01 0.30380086D-01 0.93254018D-02 -0.16054444D-01 -0.27231376D-01 -0.31001960D-01 -0.94887109D-02 MO 31 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.416077 -0.18655962D-02 -0.34416606D-02 -0.55559074D-02 -0.72321406D-02 -0.61711987D-02 -0.21307666D-02 -0.30997964D-02 -0.14286933D-02 0.40062052D-02 0.25057098D-01 0.19212193D-01 0.95882308D-02 -0.33207796D-03 -0.25461632D-03 -0.12707139D-03 -0.34179552D-03 -0.26206713D-03 -0.13078986D-03 -0.10873146D-02 0.71566301D-02 0.51893876D-02 0.49144081D-04 -0.10256596D-01 0.99797192D-02 -0.39972953D-03 0.76868425D-02 0.24575799D-04 -0.18816557D-04 0.12259648D-01 0.22616657D-01 0.36510297D-01 0.47525558D-01 0.40553645D-01 0.14002199D-01 0.18450217D-01 0.85036882D-02 -0.23845229D-01 -0.21394470D-01 -0.16403922D-01 -0.81867070D-02 -0.10992940D+00 -0.84286891D-01 -0.42065066D-01 -0.85067630D-03 -0.65224463D-03 -0.32551578D-03 -0.20833159D-01 -0.10412758D-02 -0.34149156D-02 -0.29668684D-03 0.45496190D-02 -0.43585817D-02 0.16278913D-02 -0.97394249D-02 -0.14535238D-03 0.23101440D-04 -0.81879281D-05 -0.15105128D-04 -0.24384361D-04 -0.31741193D-04 -0.27084817D-04 -0.93517365D-05 -0.32054687D-04 -0.14773976D-04 0.41427771D-04 -0.32994047D-03 -0.25297743D-03 -0.12625347D-03 0.84975175D-01 0.65153575D-01 0.32516200D-01 -0.65505732D-04 -0.50225640D-04 -0.25066115D-04 -0.52345717D-04 -0.21686934D-04 0.74359722D-02 -0.29844592D-05 0.16084007D-04 0.17826283D-04 -0.20402636D-04 0.11335588D-01 -0.19630108D-05 -0.11882428D-02 -0.12209517D-01 -0.22524175D-01 -0.36361002D-01 -0.47331221D-01 -0.40387817D-01 -0.13944942D-01 -0.18369771D-01 -0.84666108D-02 0.23741261D-01 0.21309484D-01 0.16338761D-01 0.81541868D-02 -0.10917228D+00 -0.83706381D-01 -0.41775350D-01 0.79253854D-03 0.60766829D-03 0.30326906D-03 0.20735585D-01 0.11083102D-02 -0.33591059D-02 0.29182182D-03 -0.45617074D-02 0.43489211D-02 -0.16313537D-02 -0.97156899D-02 0.14245575D-03 0.16845285D-04 0.18635224D-02 0.34378350D-02 0.55497317D-02 0.72241017D-02 0.61643390D-02 0.21283981D-02 0.31074806D-02 0.14322350D-02 -0.40161364D-02 -0.25033458D-01 -0.19194068D-01 -0.95791849D-02 -0.40676403D-03 -0.31188086D-03 -0.15565041D-03 0.33442916D-03 0.25641907D-03 0.12797109D-03 0.11475986D-02 -0.70917493D-02 0.51640545D-02 -0.49314865D-04 0.10236507D-01 -0.99502091D-02 0.39023231D-03 0.77244600D-02 -0.29818560D-04 -0.23042055D-04 0.12317430D-05 0.22723253D-05 0.36682376D-05 0.47749554D-05 0.40744781D-05 0.14068194D-05 0.55760300D-05 0.25699871D-05 -0.72065122D-05 -0.48151521D-04 -0.36919532D-04 -0.18425434D-04 0.65172739D-01 0.49970323D-01 0.24938693D-01 -0.24354059D-05 -0.18673148D-05 -0.93192094D-06 0.32194545D-04 0.67475723D-06 0.92901722D-02 -0.32908618D-06 0.80060309D-05 -0.65241618D-05 -0.26695054D-05 -0.15596857D-01 -0.11967335D-05 -0.10550658D-04 -0.16059570D-01 -0.27240070D-01 -0.31011857D-01 -0.69589477D-02 0.15981115D-01 0.27106996D-01 0.30860357D-01 0.69251949D-02 -0.38267950D-03 -0.70596697D-03 -0.11434823D-02 -0.15070810D-02 -0.12937504D-02 -0.43976048D-03 -0.22181924D-02 -0.99639726D-03 0.29521234D-02 -0.11656594D+01 -0.89972816D+00 -0.38194626D+00 0.71096514D+00 0.54876698D+00 0.23295869D+00 0.29712169D-02 0.22933694D-02 0.97356503D-03 -0.15785129D-03 -0.67072041D-01 0.41287754D-01 0.20669897D-03 -0.75172300D-02 0.93921810D-02 0.14645662D-02 -0.70628279D-02 0.41632921D-04 0.59617582D-04 -0.32240453D-06 -0.59477173D-06 -0.96337505D-06 -0.12697042D-05 -0.10899747D-05 -0.37049482D-06 -0.79605169D-05 -0.35758112D-05 0.10594405D-04 0.70094442D-04 0.54103236D-04 0.22967525D-04 0.11496254D+01 0.88735215D+00 0.37669249D+00 0.17954965D-04 0.13858755D-04 0.58832212D-05 -0.63197369D-05 0.38564118D-05 0.63616250D-01 0.13365899D-05 0.52377528D-05 0.50493873D-05 0.34561439D-05 0.15178646D-01 0.31080843D-06 -0.22256049D-04 0.38066384D-03 0.70224849D-03 0.11374594D-02 0.14991429D-02 0.12869359D-02 0.43744417D-03 0.22070639D-02 0.99139841D-03 -0.29373129D-02 0.11688487D+01 0.90218987D+00 0.38299129D+00 0.71194852D+00 0.54952601D+00 0.23328091D+00 -0.27417566D-02 -0.21162577D-02 -0.89837883D-03 0.15614513D-03 0.67247371D-01 0.41341027D-01 -0.19260310D-03 0.75354916D-02 -0.94021339D-02 -0.14632469D-02 -0.70869138D-02 -0.39974044D-04 0.56753229D-04 -0.10357194D-04 -0.19107000D-04 -0.30844622D-04 -0.40150533D-04 -0.34260523D-04 -0.11829335D-04 -0.17894569D-04 -0.82475906D-05 0.23127105D-04 0.29410709D-03 0.22550266D-03 0.11254163D-03 0.37563584D+00 0.28801374D+00 0.14373904D+00 -0.10888791D-03 -0.83488344D-04 -0.41666535D-04 0.24274732D-04 0.15682957D-04 0.20595290D-01 -0.11052489D-04 -0.51745282D-06 0.48929982D-03 -0.48322730D-03 0.18048702D-01 0.12933065D-04 -0.24456371D-01 -0.48723100D-03 -0.82643599D-03 -0.94086817D-03 -0.32879982D-03 -0.32082184D-01 -0.54417456D-01 -0.61952350D-01 -0.21720789D-01 0.32598422D-01 0.55293093D-01 0.62949232D-01 0.22054084D-01 MO 32 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.383889 0.71041838D-02 0.13105832D-01 0.21156876D-01 0.27539967D-01 0.23499903D-01 0.81139519D-02 0.12573651D-01 0.57951843D-02 -0.16250302D-01 -0.18064462D-01 -0.13850684D-01 -0.69124620D-02 0.38870657D-01 0.29803554D-01 0.14874062D-01 0.80683678D-03 0.61863127D-03 0.30874036D-03 -0.79031582D-02 0.34405299D-02 0.18706556D-03 -0.10416352D-03 -0.30147400D-02 0.83042416D-02 -0.65023467D-03 -0.18204432D-01 0.24164790D-03 -0.54041191D-04 -0.11188347D-01 -0.20640315D-01 -0.33319868D-01 -0.43372568D-01 -0.37009891D-01 -0.12778626D-01 -0.20234884D-01 -0.93262394D-02 0.26151749D-01 0.10507884D+00 0.80567791D-01 0.40208974D-01 -0.31133463D+00 -0.23871165D+00 -0.11913384D+00 0.31723979D-02 0.24323935D-02 0.12139348D-02 0.71142495D-02 0.49266458D-02 -0.92150643D-02 0.44179136D-03 -0.16360189D-02 -0.60018489D-02 -0.43533655D-03 -0.20052425D-01 0.29580468D-03 0.16919317D-03 -0.59109832D-05 -0.10904610D-04 -0.17603421D-04 -0.22914424D-04 -0.19552920D-04 -0.67511532D-05 0.77681492D-05 0.35803329D-05 -0.10039627D-04 0.73506670D-03 0.56360252D-03 0.28127716D-03 0.37298686D+00 0.28598267D+00 0.14272539D+00 0.37820374D-04 0.28998264D-04 0.14472166D-04 0.61243258D-04 0.20927458D-04 0.15676392D-01 0.19475413D-05 0.12446575D-04 -0.54936063D-04 0.24593493D-04 -0.42112042D-01 -0.69409885D-06 0.19880017D-02 0.11164148D-01 0.20595674D-01 0.33247804D-01 0.43278762D-01 0.36929846D-01 0.12750988D-01 0.20193767D-01 0.93072888D-02 -0.26098609D-01 -0.10559395D+00 -0.80962741D-01 -0.40406082D-01 -0.31211776D+00 -0.23931211D+00 -0.11943351D+00 -0.31291046D-02 -0.23991989D-02 -0.11973684D-02 -0.70641261D-02 -0.49982620D-02 -0.92869374D-02 -0.43874071D-03 0.16811011D-02 0.59649806D-02 0.44363270D-03 -0.20042702D-01 -0.29555083D-03 0.17344641D-03 -0.71442674D-02 -0.13179778D-01 -0.21276249D-01 -0.27695354D-01 -0.23632496D-01 -0.81597329D-02 -0.12649131D-01 -0.58299730D-02 0.16347853D-01 0.18600064D-01 0.14261349D-01 0.71174127D-02 0.38838089D-01 0.29778584D-01 0.14861600D-01 -0.79535970D-03 -0.60983137D-03 -0.30434859D-03 0.79137876D-02 -0.34835631D-02 0.21417781D-03 0.10546490D-03 0.30551533D-02 -0.83693864D-02 0.65646598D-03 -0.18245174D-01 -0.23880179D-03 -0.51187939D-04 0.17970487D-04 0.33152040D-04 0.53517671D-04 0.69664106D-04 0.59444508D-04 0.20524760D-04 0.26236162D-04 0.12092223D-04 -0.33907856D-04 -0.70028355D-04 -0.53693301D-04 -0.26796720D-04 -0.46543939D-01 -0.35686940D-01 -0.17810284D-01 0.54627117D-05 0.41884608D-05 0.20903355D-05 -0.59967665D-04 -0.11752591D-04 0.25215819D-02 0.30739231D-06 0.16720597D-04 -0.72471422D-05 0.34637789D-05 -0.14553984D-01 0.12908752D-05 0.15188384D-03 -0.22559417D-01 -0.38265041D-01 -0.43563397D-01 -0.21737459D-01 0.22581462D-01 0.38302434D-01 0.43605968D-01 0.21721487D-01 0.14737516D-02 0.27187762D-02 0.44037083D-02 0.58039771D-02 0.49824113D-02 0.16935783D-02 0.26295305D-02 0.11811676D-02 -0.34995605D-02 -0.69962993D+00 -0.54001776D+00 -0.22924454D+00 0.20470353D-01 0.15800287D-01 0.67074267D-02 0.10972179D-01 0.84690080D-02 0.35952036D-02 -0.49988104D-02 -0.40732101D-01 0.58363875D-03 0.61202001D-03 -0.23401691D-02 0.27694544D-02 0.54600377D-03 -0.50379525D-02 0.21711761D-04 0.87670971D-04 0.27810541D-05 0.51304874D-05 0.83100512D-05 0.10952439D-04 0.94020971D-05 0.31958798D-05 0.89867531D-05 0.40367896D-05 -0.11960191D-04 0.99070336D-04 0.76468627D-04 0.32461923D-04 0.62768892D+00 0.48448923D+00 0.20567195D+00 -0.35119934D-04 -0.27107743D-04 -0.11507588D-04 0.14932566D-05 0.42531973D-05 0.36067016D-01 -0.22841735D-05 -0.83711711D-05 0.21055217D-05 -0.32238382D-05 0.63634041D-02 -0.36627512D-06 -0.15350871D-04 -0.14694992D-02 -0.27109314D-02 -0.43910017D-02 -0.57872301D-02 -0.49680349D-02 -0.16886916D-02 -0.26120310D-02 -0.11733069D-02 0.34762710D-02 0.69514017D+00 0.53655228D+00 0.22777340D+00 0.19666405D-01 0.15179751D-01 0.64440009D-02 -0.11075096D-01 -0.85484460D-02 -0.36289261D-02 0.49947159D-02 0.40475122D-01 0.53878495D-03 -0.61883998D-03 0.23226017D-02 -0.27625214D-02 -0.54746820D-03 -0.50125252D-02 -0.22315634D-04 0.88940073D-04 -0.15912903D-04 -0.29356199D-04 -0.47390007D-04 -0.61687709D-04 -0.52638234D-04 -0.18174717D-04 -0.20115166D-04 -0.92710615D-05 0.25997024D-04 -0.71543866D-03 -0.54855299D-03 -0.27376639D-03 -0.35123145D+00 -0.26930200D+00 -0.13440057D+00 0.13712351D-07 0.10513761D-07 0.52471035D-08 0.35270934D-04 -0.36778141D-04 -0.19720141D-01 0.29706160D-05 0.11712544D-04 -0.49704729D-03 0.47703529D-03 -0.33353880D-01 -0.16470773D-04 0.24421435D-01 0.48695350D-03 0.82596530D-03 0.94033230D-03 0.37691064D-03 0.33589420D-01 0.56974014D-01 0.64862901D-01 0.26531079D-01 -0.34146650D-01 -0.57919181D-01 -0.65938940D-01 -0.26974796D-01 MO 33 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.371534 -0.15688785D-01 -0.28942745D-01 -0.46722565D-01 -0.60818897D-01 -0.51896875D-01 -0.17918744D-01 -0.26068023D-01 -0.12014728D-01 0.33690552D-01 0.22920364D+00 0.17573881D+00 0.87705985D-01 0.37480076D-01 0.28737345D-01 0.14341949D-01 -0.81814739D-03 -0.62730353D-03 -0.31306842D-03 0.24863260D-01 0.73632964D-03 -0.54935368D-02 0.13085911D-03 0.12037290D-01 -0.19508716D-01 -0.49454243D-03 -0.23273543D-02 -0.58748995D-05 0.34469228D-04 0.30175712D-02 0.55668297D-02 0.89865891D-02 0.11697869D-01 0.99818127D-02 0.34464801D-02 0.37978817D-02 0.17504402D-02 -0.49084170D-02 -0.27473418D+00 -0.21064875D+00 -0.10512849D+00 0.52906184D-01 0.40565106D-01 0.20244831D-01 0.33420082D-02 0.25624400D-02 0.12788371D-02 -0.81867541D-03 -0.88215182D-02 0.60792586D-02 -0.35618223D-04 0.13785185D-01 -0.16604015D-01 0.63885900D-03 -0.89936842D-02 -0.19444879D-03 0.14653659D-03 -0.26497191D-02 -0.48882143D-02 -0.78910935D-02 -0.10271859D-01 -0.87649960D-02 -0.30263425D-02 -0.50881963D-02 -0.23451450D-02 0.65760314D-02 0.37590867D+00 0.28822292D+00 0.14384344D+00 -0.44302902D-03 -0.33968655D-03 -0.16952740D-03 0.16619563D-03 0.12742827D-03 0.63595638D-04 0.24098204D-03 0.49787705D-02 -0.10400626D-03 0.28678664D-03 0.16817400D-01 -0.15343045D-01 -0.21256021D-03 0.10798653D-03 -0.16332272D-03 -0.98983799D-06 0.29363450D-02 0.54169831D-02 0.87446903D-02 0.11382989D-01 0.97131247D-02 0.33537086D-02 0.36539610D-02 0.16841073D-02 -0.47224126D-02 -0.27511685D+00 -0.21094215D+00 -0.10527492D+00 -0.51853542D-01 -0.39758007D-01 -0.19842032D-01 0.33507558D-02 0.25691471D-02 0.12821844D-02 -0.76315927D-03 -0.89365235D-02 -0.61114597D-02 -0.34012438D-04 0.13777873D-01 -0.16655840D-01 0.63253560D-03 0.90846971D-02 -0.19415086D-03 -0.14747000D-03 -0.15619912D-01 -0.28815687D-01 -0.46517454D-01 -0.60551904D-01 -0.51669049D-01 -0.17840081D-01 -0.25952670D-01 -0.11961562D-01 0.33541468D-01 0.23009724D+00 0.17642397D+00 0.88047927D-01 -0.38399179D-01 -0.29442055D-01 -0.14693649D-01 -0.82465235D-03 -0.63229111D-03 -0.31555758D-03 0.24712593D-01 0.67687882D-03 0.55150962D-02 0.13092712D-03 0.12079256D-01 -0.19512383D-01 -0.49400682D-03 0.25210932D-02 -0.55631109D-05 -0.35449392D-04 0.21003270D-01 0.38746932D-01 0.62549562D-01 0.81420944D-01 0.69476639D-01 0.23988614D-01 0.34163815D-01 0.15746071D-01 -0.44153627D-01 -0.10295044D+00 -0.78935864D-01 -0.39394529D-01 0.84964274D-03 0.65145217D-03 0.32512029D-03 0.75525508D-03 0.57908169D-03 0.28900235D-03 -0.42386386D-01 -0.10211780D-01 0.36586023D-04 -0.34937065D-05 0.17777802D-01 -0.60621755D-02 0.12442034D-02 0.11831536D-03 -0.44425783D-04 -0.60210048D-06 -0.14118794D-01 -0.23948147D-01 -0.27264119D-01 -0.17024442D-01 -0.14225848D-01 -0.24129731D-01 -0.27470846D-01 -0.17161682D-01 0.65265033D-03 0.12040090D-02 0.19501806D-02 0.25702891D-02 0.22064590D-02 0.75000052D-03 0.37290318D-02 0.16750562D-02 -0.49628527D-02 -0.11199097D+01 -0.86441577D+00 -0.36695569D+00 0.29720078D+00 0.22939799D+00 0.97382419D-01 0.29632840D-02 0.22872463D-02 0.97096571D-03 -0.50714299D-03 -0.66472806D-01 0.18053628D-01 0.12010192D-03 -0.43290730D-02 0.16675265D-02 -0.10321614D-02 -0.48212545D-02 -0.14937803D-04 -0.19057089D-04 0.25764630D-03 0.47530577D-03 0.76987136D-03 0.10146711D-02 0.87104220D-03 0.29607716D-03 -0.92314598D-03 -0.41467102D-03 0.12285863D-02 0.41256310D+00 0.31844178D+00 0.13518266D+00 -0.38201684D-02 -0.29486428D-02 -0.12517371D-02 -0.27287808D-02 -0.21062422D-02 -0.89412710D-03 -0.29262461D-03 0.22956052D-01 -0.24356158D-03 -0.14802645D-03 -0.10210472D-02 0.14381884D-02 -0.62450520D-03 -0.36142108D-04 0.67900086D-05 0.95071549D-07 0.66223342D-03 0.12216879D-02 0.19788157D-02 0.26080295D-02 0.22388572D-02 0.76101303D-03 0.37376220D-02 0.16789149D-02 -0.49742850D-02 -0.11176136D+01 -0.86264349D+00 -0.36620334D+00 -0.29324656D+00 -0.22634587D+00 -0.96086756D-01 0.29430735D-02 0.22716466D-02 0.96434340D-03 -0.54678256D-03 -0.66335557D-01 -0.17812940D-01 0.11874174D-03 -0.43152291D-02 0.16655185D-02 -0.10217092D-02 0.48195759D-02 -0.15143847D-04 0.19132178D-04 -0.11303834D-01 -0.20853366D-01 -0.33663799D-01 -0.43820264D-01 -0.37391911D-01 -0.12910528D-01 -0.17544451D-01 -0.80862215D-02 0.22674609D-01 -0.37159073D+00 -0.28491221D+00 -0.14219116D+00 0.81706573D-03 0.62647418D-03 0.31265452D-03 -0.23307807D-01 -0.17870948D-01 -0.89188555D-02 0.24702500D-01 -0.24958707D-01 0.10468378D-03 -0.26537206D-02 0.10798124D-01 -0.93221732D-02 -0.78921310D-02 0.50562997D-04 -0.29862611D-03 -0.96823275D-05 -0.12473347D-01 -0.21157157D-01 -0.24086676D-01 -0.10281274D-01 -0.10773497D-01 -0.18273890D-01 -0.20804178D-01 -0.10883339D-01 -0.10689806D-01 -0.18131935D-01 -0.20642567D-01 -0.10881404D-01 MO 34 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.366403 0.91182951D-02 0.16821474D-01 0.27155075D-01 0.35347839D-01 0.30162375D-01 0.10414343D-01 0.13939556D-01 0.64247286D-02 -0.18015610D-01 0.24169221D+00 0.18531425D+00 0.92484801D-01 0.19026038D+00 0.14587959D+00 0.72804139D-01 -0.21291400D-02 -0.16324895D-02 -0.81472666D-03 -0.24123765D-01 0.13190019D-02 0.80010718D-02 -0.41832239D-05 0.12117025D-01 -0.65405229D-02 0.68940149D-03 -0.32497727D-01 -0.63868455D-04 0.25245701D-03 -0.95184950D-02 -0.17559765D-01 -0.28346905D-01 -0.36899247D-01 -0.31486195D-01 -0.10871426D-01 -0.14148351D-01 -0.65209622D-02 0.18285459D-01 -0.18985122D+00 -0.14556588D+00 -0.72647575D-01 -0.92287466D-01 -0.70760175D-01 -0.35314287D-01 0.11500572D-02 0.88179091D-03 0.44007546D-03 0.27780358D-01 -0.83364990D-02 -0.85144068D-02 -0.35616904D-04 0.33957364D-02 -0.85652304D-02 -0.16949058D-02 -0.13868428D-01 -0.98866818D-04 0.10087358D-03 -0.93820945D-07 -0.17308132D-06 -0.27940692D-06 -0.36370479D-06 -0.31034996D-06 -0.10715638D-06 -0.10143516D-04 -0.46751371D-05 0.13109572D-04 0.73644647D-03 0.56466044D-03 0.28180513D-03 0.11560612D-01 0.88639437D-02 0.44237291D-02 -0.65523387D-05 -0.50239177D-05 -0.25072870D-05 -0.38561914D-04 0.12538394D-04 -0.83167150D-02 0.41800754D-06 0.43945757D-04 -0.27639263D-04 -0.51691098D-05 -0.54544981D-02 0.52673298D-06 -0.33430135D-03 0.95403180D-02 0.17600024D-01 0.28411896D-01 0.36983846D-01 0.31558383D-01 0.10896351D-01 0.14181099D-01 0.65360558D-02 -0.18327783D-01 0.18869928D+00 0.14468264D+00 0.72206776D-01 -0.92363000D-01 -0.70818090D-01 -0.35343190D-01 -0.11482855D-02 -0.88043246D-03 -0.43939750D-03 -0.27798862D-01 0.83295625D-02 -0.85150268D-02 0.34477011D-04 -0.33371015D-02 0.84915194D-02 0.16936590D-02 -0.13842140D-01 0.98000767D-04 0.99624827D-04 -0.91822836D-02 -0.16939520D-01 -0.27345638D-01 -0.35595896D-01 -0.30374042D-01 -0.10487427D-01 -0.14041033D-01 -0.64714990D-02 0.18146759D-01 -0.24076897D+00 -0.18460638D+00 -0.92131519D-01 0.19008019D+00 0.14574144D+00 0.72735191D-01 0.21190296D-02 0.16247375D-02 0.81085786D-03 0.24261203D-01 -0.12947021D-02 0.80184379D-02 0.41753632D-05 -0.12062257D-01 0.64635500D-02 -0.69491995D-03 -0.32484555D-01 0.62740982D-04 0.25132649D-03 0.45043161D-04 0.83095836D-04 0.13414244D-03 0.17461361D-03 0.14899811D-03 0.51445465D-04 0.74013410D-04 0.34112713D-04 -0.95655608D-04 -0.14218712D-03 -0.10902006D-03 -0.54408652D-04 -0.37040624D+00 -0.28400401D+00 -0.14173791D+00 -0.19786439D-05 -0.15170987D-05 -0.75713855D-06 -0.75722414D-04 -0.20278103D-04 -0.14166285D-02 -0.17984897D-06 0.47508402D-04 -0.18436265D-04 0.15569249D-05 -0.37395472D-01 -0.85802144D-06 0.10287058D-03 -0.17124425D-01 -0.29046267D-01 -0.33068148D-01 -0.17149948D-01 0.17056361D-01 0.28930817D-01 0.32936712D-01 0.17081671D-01 0.56314667D-03 0.10388927D-02 0.16827352D-02 0.22178028D-02 0.19038679D-02 0.64714637D-03 0.22396988D-02 0.10060578D-02 -0.29807456D-02 0.88780472D+00 0.68526273D+00 0.29090291D+00 -0.85157255D+00 -0.65729649D+00 -0.27903088D+00 -0.92979823D-02 -0.71767592D-02 -0.30466273D-02 -0.42013626D-03 0.56172075D-01 -0.52144085D-01 -0.55862429D-03 0.28063097D-02 -0.37097453D-02 0.27465836D-03 0.40190539D-02 -0.20722415D-04 -0.48121985D-04 -0.65664259D-06 -0.12113740D-05 -0.19621098D-05 -0.25860115D-05 -0.22199559D-05 -0.75458827D-06 -0.73120206D-05 -0.32845110D-05 0.97313413D-05 0.55419962D-03 0.42776563D-03 0.18159205D-03 0.14993699D+01 0.11573066D+01 0.49129166D+00 0.14406776D-04 0.11120043D-04 0.47206023D-05 -0.31859291D-05 0.27607792D-04 0.93154526D-01 0.99041046D-06 -0.35253223D-05 0.57700698D-05 0.59596683D-06 0.10602363D-01 0.22477659D-06 -0.38993122D-04 -0.56123947D-03 -0.10353743D-02 -0.16770363D-02 -0.22102918D-02 -0.18974201D-02 -0.64495469D-03 -0.22282312D-02 -0.10009066D-02 0.29654837D-02 -0.89209649D+00 -0.68857538D+00 -0.29230917D+00 -0.85276995D+00 -0.65822071D+00 -0.27942322D+00 0.93530947D-02 0.72192984D-02 0.30646857D-02 0.41571435D-03 -0.56431075D-01 -0.52216687D-01 0.56192401D-03 -0.28242867D-02 0.37161676D-02 -0.27790850D-03 0.40382134D-02 0.20808351D-04 -0.48492996D-04 -0.31178909D-04 -0.57518999D-04 -0.92853498D-04 -0.12086767D-03 -0.10313660D-03 -0.35610589D-04 -0.48244450D-04 -0.22235823D-04 0.62351569D-04 -0.71313725D-03 -0.54678841D-03 -0.27288574D-03 0.10462340D+00 0.80218589D-01 0.40034698D-01 -0.44214918D-04 -0.33901195D-04 -0.16919072D-04 0.65758739D-04 -0.45857148D-04 0.74969242D-02 -0.71694235D-05 0.22576358D-04 0.13312081D-03 -0.16446822D-03 0.64985259D-02 0.47670139D-05 -0.75793280D-02 -0.16629243D-03 -0.28206344D-03 -0.32111925D-03 -0.11646641D-03 -0.93006461D-02 -0.15775656D-01 -0.17960027D-01 -0.63126809D-02 0.93964019D-02 0.15938076D-01 0.18144936D-01 0.63541668D-02 MO 35 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.345934 0.95315471D-04 0.17583843D-03 0.28385775D-03 0.36949845D-03 0.31529370D-03 0.10886334D-03 0.33830193D-03 0.15592305D-03 -0.43722451D-03 -0.28757075D-05 -0.22049101D-05 -0.11004047D-05 0.66370511D-03 0.50888698D-03 0.25397027D-03 0.20630302D+00 0.15818007D+00 0.78942942D-01 0.60628283D-03 0.52680242D-03 0.87273312D-04 0.11774708D-01 0.15652974D-03 0.53166447D-04 -0.18885853D-03 -0.42871788D-03 0.21907820D-01 -0.28154857D-01 0.42110137D-04 0.77684980D-04 0.12540765D-03 0.16324349D-03 0.13929597D-03 0.48095550D-04 0.56101947D-04 0.25857336D-04 -0.72506669D-04 0.30058183D-02 0.23046708D-02 0.11501922D-02 -0.39295959D-02 -0.30129649D-02 -0.15036806D-02 0.28379402D+00 0.21759526D+00 0.10859528D+00 -0.39223739D-03 0.80618528D-03 -0.52072214D-03 0.21827333D-01 -0.33951189D-03 0.65291749D-04 0.21191403D-04 0.21931383D-04 -0.85977029D-02 -0.17151786D-01 0.34427991D-03 0.63512920D-03 0.10252955D-02 0.13346301D-02 0.11388422D-02 0.39321486D-03 0.27202778D-03 0.12537736D-03 -0.35157120D-03 -0.78046927D-02 -0.59841434D-02 -0.29865069D-02 -0.94415790D-05 -0.72392039D-05 -0.36128701D-05 0.26018572D+00 0.19949391D+00 0.99561441D-01 -0.13803911D-02 -0.10302592D-03 -0.38227752D-05 0.19479214D-01 0.10857945D-03 0.67242939D-03 -0.36542159D-03 0.17819021D-05 -0.28283805D-01 0.52109318D-04 0.40851807D-04 0.75363607D-04 0.12166023D-03 0.15836547D-03 0.13513354D-03 0.46658365D-04 0.52261414D-04 0.24087238D-04 -0.67543130D-04 0.30195038D-02 0.23151640D-02 0.11554291D-02 0.39400029D-02 0.30209443D-02 0.15076629D-02 0.28358203D+00 0.21743272D+00 0.10851416D+00 -0.39948746D-03 0.80599923D-03 0.51952054D-03 0.21796276D-01 -0.34028685D-03 0.65897206D-04 0.21628344D-04 -0.22300603D-04 -0.86165732D-02 0.17149638D-01 0.95766525D-04 0.17667054D-03 0.28520103D-03 0.37124700D-03 0.31678574D-03 0.10937850D-03 0.33959139D-03 0.15651736D-03 -0.43889102D-03 -0.13147033D-04 -0.10080311D-04 -0.50307819D-05 -0.65957221D-03 -0.50571814D-03 -0.25238879D-03 0.20624383D+00 0.15813469D+00 0.78920292D-01 0.60761974D-03 0.52816921D-03 -0.86502018D-04 0.11778921D-01 0.15655829D-03 0.53600086D-04 -0.18902657D-03 0.42889117D-03 0.21896940D-01 0.28150585D-01 0.26255156D-04 0.48435636D-04 0.78190135D-04 0.10178032D-03 0.86849335D-04 0.29986988D-04 0.10412563D-03 0.47991410D-04 -0.13457292D-03 0.29251261D-03 0.22428012D-03 0.11193150D-03 -0.43899430D-05 -0.33659299D-05 -0.16798349D-05 0.18396021D+00 0.14104902D+00 0.70393346D-01 0.22585738D-03 -0.63085279D-04 -0.38539427D-06 0.11465140D-01 0.11623037D-03 0.48107900D-04 -0.22278507D-03 -0.78128162D-07 0.33180018D-01 0.11042437D-04 -0.22011799D-03 -0.37336178D-03 -0.42505919D-03 0.12447922D-03 -0.22019872D-03 -0.37349871D-03 -0.42521508D-03 0.12520000D-03 -0.74669243D-04 -0.13774979D-03 -0.22311872D-03 -0.29406488D-03 -0.25243934D-03 -0.85807006D-04 -0.74539317D-04 -0.33482564D-04 0.99202063D-04 0.58431700D-02 0.45101209D-02 0.19146048D-02 0.46259975D-02 0.35706317D-02 0.15157794D-02 -0.98751313D+00 -0.76222386D+00 -0.32357390D+00 0.19287491D-03 0.23969192D-03 0.35889298D-03 -0.64599682D-01 -0.75089627D-04 -0.91350728D-05 -0.75724243D-04 -0.20920797D-05 -0.33618275D-02 -0.73797270D-02 -0.23085706D-04 -0.42588501D-04 -0.68982261D-04 -0.90916891D-04 -0.78047404D-04 -0.26529201D-04 -0.60045227D-04 -0.26971916D-04 0.79912328D-04 -0.66581470D-04 -0.51391706D-04 -0.21816445D-04 0.12425022D-04 0.95904022D-05 0.40712500D-05 -0.81064705D+00 -0.62570765D+00 -0.26562101D+00 -0.55111348D-04 -0.10559282D-04 0.77627100D-06 -0.54129569D-01 0.14230791D-04 -0.74234125D-05 -0.17133151D-04 0.33628758D-07 -0.68372241D-02 -0.74273553D-06 -0.74510559D-04 -0.13745705D-03 -0.22264456D-03 -0.29343994D-03 -0.25190287D-03 -0.85624653D-04 -0.74774900D-04 -0.33588387D-04 0.99515593D-04 0.58044902D-02 0.44802654D-02 0.19019307D-02 -0.46459763D-02 -0.35860526D-02 -0.15223258D-02 -0.98788978D+00 -0.76251458D+00 -0.32369732D+00 0.19176795D-03 0.23765161D-03 -0.35983983D-03 -0.64619767D-01 -0.74697673D-04 -0.88373031D-05 -0.75535679D-04 0.20095253D-05 -0.33625602D-02 0.73803493D-02 0.10752146D-03 0.19835609D-03 0.32020823D-03 0.41681598D-03 0.35566983D-03 0.12280424D-03 0.34154541D-04 0.15741797D-04 -0.44141642D-04 0.94617711D-02 0.72546860D-02 0.36205967D-02 0.20957231D-04 0.16068676D-04 0.80193953D-05 -0.20263409D+00 -0.15536696D+00 -0.77539004D-01 -0.43035754D-03 0.76816906D-03 0.53434812D-05 -0.13414227D-01 0.35745725D-03 0.84050462D-02 -0.84805661D-02 -0.95519644D-05 -0.23704479D-01 0.64322262D-03 -0.23762620D-01 -0.40305901D-01 -0.45886844D-01 -0.18372077D-01 0.12294370D-01 0.20853578D-01 0.23741062D-01 0.95368242D-02 0.11760593D-01 0.19948191D-01 0.22710310D-01 0.91155724D-02 MO 36 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.255922 -0.85648460D-04 -0.15800468D-03 -0.25506855D-03 -0.33202347D-03 -0.28331622D-03 -0.97822284D-04 -0.26566510D-03 -0.12244480D-03 0.34334800D-03 0.24947343D-02 0.19128040D-02 0.95462326D-03 0.11551887D-02 0.88572542D-03 0.44203906D-03 0.35211310D+00 0.26997799D+00 0.13473794D+00 -0.21596775D-03 0.55381914D-03 0.86748257D-03 0.22735044D-01 0.97543707D-04 -0.56270846D-04 -0.11742413D-03 0.14187433D-03 0.31146020D-01 -0.13546535D-01 0.21362690D-03 0.39409993D-03 0.63619947D-03 0.82814268D-03 0.70665565D-03 0.24399122D-03 0.79750826D-03 0.36757083D-03 -0.10307070D-02 0.16227904D-02 0.12442528D-02 0.62096934D-03 0.33868238D-02 0.25968017D-02 0.12959860D-02 0.39918386D+00 0.30606887D+00 0.15274981D+00 0.23379905D-02 0.12384324D-02 -0.12299743D-02 0.36445740D-01 0.79482448D-04 0.85637098D-04 0.36666231D-04 -0.44340845D-03 -0.20965740D-01 -0.38052514D-03 0.16229717D-05 0.29940659D-05 0.48333507D-05 0.62915865D-05 0.53686221D-05 0.18536562D-05 -0.26129449D-06 -0.12043039D-06 0.33769939D-06 -0.12619142D-04 -0.96755575D-05 -0.48287813D-05 -0.15213155D-02 -0.11664482D-02 -0.58213940D-03 0.11974014D-02 0.91809144D-03 0.45819197D-03 -0.14020037D-04 0.22443124D-05 -0.38441391D-02 0.62988992D-04 0.43205973D-06 0.12363214D-05 0.23049661D-06 0.15777283D-02 -0.43047806D-04 0.38708159D-01 -0.21269060D-03 -0.39237262D-03 -0.63341107D-03 -0.82451302D-03 -0.70355845D-03 -0.24292183D-03 -0.79657082D-03 -0.36713876D-03 0.10294954D-02 -0.16167137D-02 -0.12395935D-02 -0.61864403D-03 0.34022793D-02 0.26086520D-02 0.13019002D-02 -0.39836096D+00 -0.30543792D+00 -0.15243493D+00 -0.23385595D-02 -0.12340193D-02 -0.12200699D-02 -0.36356980D-01 -0.79116856D-04 -0.84170300D-04 -0.37131240D-04 -0.44383028D-03 0.21122373D-01 -0.26278027D-03 0.86043432D-04 0.15873333D-03 0.25624481D-03 0.33355461D-03 0.28462275D-03 0.98273397D-04 0.26676409D-03 0.12295133D-03 -0.34476835D-03 -0.25070029D-02 -0.19222108D-02 -0.95931791D-03 0.11612842D-02 0.89039908D-03 0.44437155D-03 -0.35357684D+00 -0.27110030D+00 -0.13529805D+00 0.21721622D-03 -0.55122503D-03 0.86429117D-03 -0.22850157D-01 -0.97168604D-04 0.57083585D-04 0.11618989D-03 0.14261332D-03 -0.31066086D-01 -0.13740321D-01 0.49031100D-06 0.90452805D-06 0.14601887D-05 0.19007319D-05 0.16218979D-05 0.56000238D-06 0.89520913D-06 0.41260107D-06 -0.11569765D-05 -0.47141206D-05 -0.36144887D-05 -0.18038832D-05 -0.23076341D-03 -0.17693475D-03 -0.88302840D-04 -0.11808369D-02 -0.90539085D-03 -0.45185349D-03 0.30228367D-05 -0.53328790D-06 0.75957829D-03 -0.81487789D-04 0.56138230D-07 0.15630084D-07 0.57917771D-06 0.34798494D-03 -0.10959610D-03 0.35399982D-01 0.23473289D-04 0.39815141D-04 0.45328131D-04 0.38857789D-03 -0.23631931D-04 -0.40084227D-04 -0.45634476D-04 -0.38003345D-03 -0.91110943D-04 -0.16808143D-03 -0.27224806D-03 -0.35881612D-03 -0.30802491D-03 -0.10470117D-03 0.14997990D-03 0.67369974D-04 -0.19960360D-03 0.70537202D-02 0.54444986D-02 0.23112602D-02 -0.24852517D-02 -0.19182713D-02 -0.81433103D-03 0.88905252D+00 0.68622586D+00 0.29131177D+00 0.57736858D-03 0.56394758D-03 -0.12127627D-03 0.59995313D-01 -0.19281730D-03 -0.20057063D-03 -0.15589005D-03 0.28584828D-04 -0.23417350D-02 -0.26747405D-03 0.42911304D-07 0.79162755D-07 0.12822301D-06 0.16899471D-06 0.14507314D-06 0.49312011D-07 -0.87880616D-06 -0.39475387D-06 0.11695758D-05 0.13869361D-04 0.10705233D-04 0.45445099D-05 0.50646644D-03 0.39092220D-03 0.16595154D-03 0.29131380D-02 0.22485405D-02 0.95453459D-03 -0.12849390D-05 0.52066140D-06 -0.15015106D-03 0.20145832D-03 0.42587146D-06 0.57880276D-06 0.49720155D-06 -0.11983558D-03 -0.30662575D-05 0.16190022D-02 0.90882996D-04 0.16766091D-03 0.27156694D-03 0.35791841D-03 0.30725427D-03 0.10443922D-03 -0.15182836D-03 -0.68200290D-04 0.20206366D-03 -0.70052983D-02 -0.54071236D-02 -0.22953940D-02 -0.24916121D-02 -0.19231807D-02 -0.81641511D-03 -0.88555042D+00 -0.68352271D+00 -0.29016425D+00 -0.57888958D-03 -0.56179900D-03 -0.12179845D-03 -0.59745016D-01 0.19328932D-03 0.20178493D-03 0.15645790D-03 0.28944870D-04 0.23510380D-02 -0.26149818D-03 -0.80038116D-06 -0.14765470D-05 -0.23836046D-05 -0.31027450D-05 -0.26475779D-05 -0.91414503D-06 0.14734054D-05 0.67909119D-06 -0.19042426D-05 0.14396217D-07 0.11038106D-07 0.55087886D-08 0.88850948D-02 0.68125271D-02 0.33999285D-02 0.49943497D-04 0.38293506D-04 0.19111143D-04 0.60286483D-05 -0.12386443D-05 0.44834836D-02 0.13313151D-03 -0.49465033D-07 0.15822183D-04 -0.18560390D-04 0.22871778D-03 -0.50549337D-04 0.32116168D-02 -0.42330004D-04 -0.71799698D-04 -0.81741419D-04 -0.14124421D-03 -0.90314101D-04 -0.15318981D-03 -0.17440118D-03 0.34363380D-02 0.13210962D-03 0.22408292D-03 0.25511049D-03 -0.33022736D-02 MO 37 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.246784 -0.96514302D-04 -0.17805004D-03 -0.28742798D-03 -0.37414582D-03 -0.31925931D-03 -0.11023257D-03 -0.21810166D-03 -0.10052286D-03 0.28187658D-03 0.17508342D-02 0.13424286D-02 0.66996595D-03 0.11217220D-02 0.86006530D-03 0.42923286D-03 0.23701226D+00 0.18172597D+00 0.90693993D-01 -0.38941730D-03 -0.19564744D-03 0.10691632D-03 0.18200262D-01 -0.10743338D-03 -0.18713644D-03 0.23076136D-03 0.13695044D-03 -0.21336524D-01 -0.34757166D-01 -0.53137642D-04 -0.98028574D-04 -0.15824851D-03 -0.20599254D-03 -0.17577381D-03 -0.60690473D-04 0.17700954D-04 0.81583534D-05 -0.22876874D-04 -0.16794070D-02 -0.12876628D-02 -0.64263397D-03 0.25550182D-02 0.19590259D-02 0.97769123D-03 -0.19865199D+00 -0.15231375D+00 -0.76015235D-01 0.50713490D-03 -0.54076430D-03 0.32664577D-03 -0.17758257D-01 -0.11868229D-03 0.28980079D-04 0.16040728D-03 -0.30497177D-03 -0.23175487D-01 0.17519029D-01 -0.50345307D-03 -0.92877261D-03 -0.14993270D-02 -0.19516782D-02 -0.16653706D-02 -0.57501243D-03 -0.40839624D-03 -0.18822945D-03 0.52781503D-03 0.39205091D-02 0.30059977D-02 0.15002035D-02 -0.25712282D-05 -0.19714547D-05 -0.98389406D-06 -0.39392311D+00 -0.30203526D+00 -0.15073676D+00 0.17989038D-02 0.55233183D-03 -0.69575744D-05 -0.31481594D-01 -0.17063812D-03 -0.66660434D-03 0.30117120D-03 0.33718905D-05 0.17139790D-01 0.57918068D-04 -0.53916634D-04 -0.99465662D-04 -0.16056842D-03 -0.20901237D-03 -0.17835064D-03 -0.61580188D-04 0.15297790D-04 0.70507376D-05 -0.19771004D-04 -0.16899282D-02 -0.12957297D-02 -0.64665994D-03 -0.25390949D-02 -0.19468169D-02 -0.97159809D-03 -0.20068286D+00 -0.15387089D+00 -0.76792357D-01 0.49908734D-03 -0.54464357D-03 -0.33115918D-03 -0.17932129D-01 -0.11918227D-03 0.28625856D-04 0.15989052D-03 0.30280772D-03 -0.23017125D-01 -0.17524314D-01 -0.96006708D-04 -0.17711363D-03 -0.28591631D-03 -0.37217809D-03 -0.31758024D-03 -0.10965282D-03 -0.21672139D-03 -0.99886689D-04 0.28009270D-03 0.17349874D-02 0.13302783D-02 0.66390212D-03 -0.11131772D-02 -0.85351366D-03 -0.42596314D-03 0.23481059D+00 0.18003786D+00 0.89851512D-01 -0.38824206D-03 -0.19788030D-03 -0.10364234D-03 0.18047587D-01 -0.10790522D-03 -0.18688668D-03 0.23148077D-03 -0.13629905D-03 -0.21512465D-01 0.34664228D-01 -0.16334830D-03 -0.30134572D-03 -0.48646542D-03 -0.63323344D-03 -0.54033924D-03 -0.18656615D-03 -0.20315934D-03 -0.93635952D-04 0.26256498D-03 0.17515805D-02 0.13430008D-02 0.67025153D-03 -0.28964166D-05 -0.22207885D-05 -0.11083291D-05 0.46092148D+00 0.35340536D+00 0.17637404D+00 0.29711293D-03 0.29845611D-03 0.13700540D-05 0.33307312D-01 0.31833252D-04 0.71432917D-04 -0.20945753D-03 0.71039497D-06 0.37533031D-01 0.11966356D-03 0.56463012D-04 0.95771955D-04 0.10903299D-03 -0.25350804D-03 0.56417697D-04 0.95695093D-04 0.10894548D-03 -0.25547570D-03 0.91904749D-04 0.16954584D-03 0.27462003D-03 0.36194232D-03 0.31070858D-03 0.10561338D-03 0.14958926D-03 0.67194499D-04 -0.19908370D-03 -0.73121738D-02 -0.56439891D-02 -0.23959465D-02 -0.44799824D-03 -0.34579282D-03 -0.14679353D-03 -0.54810898D+00 -0.42306449D+00 -0.17959636D+00 -0.20373882D-03 -0.45104183D-03 -0.54128800D-04 -0.39122676D-01 0.34203237D-04 -0.12029612D-04 0.30979943D-04 0.18410739D-04 -0.17966458D-02 0.18427148D-02 0.21484624D-04 0.39634824D-04 0.64198075D-04 0.84611454D-04 0.72634516D-04 0.24689298D-04 0.18618241D-03 0.83631897D-04 -0.24778438D-03 -0.50197014D-02 -0.38745168D-02 -0.16447826D-02 0.51524251D-05 0.39769611D-05 0.16882715D-05 -0.10825300D+01 -0.83556375D+00 -0.35470764D+00 0.15225453D-03 -0.31307394D-03 0.99909262D-08 -0.75516192D-01 -0.93917080D-04 -0.74248441D-04 -0.72589986D-04 -0.26309014D-06 0.19090223D-02 0.64369236D-05 0.92182074D-04 0.17005745D-03 0.27544870D-03 0.36303449D-03 0.31164615D-03 0.10593207D-03 0.14929665D-03 0.67063061D-04 -0.19869428D-03 -0.73523947D-02 -0.56750341D-02 -0.24091255D-02 0.42534095D-03 0.32830452D-03 0.13936952D-03 -0.55334162D+00 -0.42710337D+00 -0.18131091D+00 -0.20536703D-03 -0.45394446D-03 0.52661757D-04 -0.39481236D-01 0.34750684D-04 -0.11545034D-04 0.31317346D-04 -0.18385900D-04 -0.17826253D-02 -0.18483121D-02 0.16045883D-03 0.29601521D-03 0.47786034D-03 0.62203217D-03 0.53078118D-03 0.18326599D-03 -0.15121798D-03 -0.69696229D-04 0.19543550D-03 -0.24137968D-02 -0.18507463D-02 -0.92365212D-03 0.19067300D-04 0.14619596D-04 0.72962031D-05 0.11473877D+00 0.87974414D-01 0.43905398D-01 -0.11361436D-02 -0.20464612D-04 0.10480748D-04 0.43069658D-02 -0.43831136D-03 -0.55844721D-02 0.63770787D-02 0.83101191D-05 0.29724227D-01 -0.43946498D-03 0.18255760D-01 0.30965225D-01 0.35252814D-01 0.20208656D-01 -0.92014889D-02 -0.15607467D-01 -0.17768549D-01 -0.98776337D-02 -0.87921077D-02 -0.14913079D-01 -0.16978013D-01 -0.94455935D-02 END DATA TOTAL ENERGY = -569.252419317938 THE VIRIAL(-V/T)= 2.00802049