Database calculations. GAUSSIAN 2 MOL ORBITALS 29 PRIMITIVES 1 NUCLEI Be 1 (CENTRE 1) 0.00000000 0.00000000 0.00000000 CHARGE = 4.0 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 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 2 3 4 TYPE ASSIGNMENTS 2 3 4 5 6 7 8 9 10 EXPONENTS 0.4700237D+04 0.7048285D+03 0.1604311D+03 0.4542535D+02 0.1479833D+02 EXPONENTS 0.5351245D+01 0.2154204D+01 0.9336374D+00 0.1879143D+00 0.7464827D-01 EXPONENTS 0.3265048D-01 0.7169569D+00 0.1954193D+00 0.7169569D+00 0.1954193D+00 EXPONENTS 0.7169569D+00 0.1954193D+00 0.3631692D+01 0.3631692D+01 0.3631692D+01 EXPONENTS 0.6051547D-01 0.6051547D-01 0.6051547D-01 0.1800000D+00 0.1800000D+00 EXPONENTS 0.1800000D+00 0.1800000D+00 0.1800000D+00 0.1800000D+00 MO 1 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -4.110728 0.15219453D+00 0.28370193D+00 0.48152904D+00 0.73415828D+00 0.93470285D+00 0.86770300D+00 0.47525815D+00 0.11852088D+00 0.56844415D-02 -0.20063682D-02 0.39882650D-03 -0.93978506D-18 -0.56369785D-18 -0.17700620D-16 -0.10617110D-16 -0.78789674D-18 -0.47259284D-18 0.63921747D-16 0.13027993D-14 0.67593077D-16 0.88904408D-19 0.14704648D-17 0.59840919D-19 0.82656199D-18 0.20154430D-17 -0.28420050D-17 -0.28582182D-16 0.54993888D-17 0.90302466D-27 MO 2 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.238499 -0.32853469D-01 -0.61241310D-01 -0.10394525D+00 -0.15847906D+00 -0.20176961D+00 -0.18730669D+00 -0.18358623D+00 -0.45783123D-01 0.94602918D-01 0.54670534D-01 0.58266992D-02 0.39920535D-17 0.23944964D-17 0.82267267D-17 0.49345199D-17 0.51683914D-17 0.31000824D-17 -0.29658942D-15 -0.59750185D-15 -0.37602129D-15 -0.31779066D-18 -0.68730620D-18 -0.42461363D-18 -0.38666274D-18 -0.36510866D-18 0.75177140D-18 -0.11753839D-16 -0.34190236D-17 -0.96909643D-26 END DATA TOTAL ENERGY = -14.635487798197 THE VIRIAL(-V/T)= 2.00489403