[B2H2]++ GAUSSIAN 5 MOL ORBITALS 80 PRIMITIVES 4 NUCLEI B 1 (CENTRE 1) -0.00000000 1.72693350 -0.00064450 CHARGE = 5.0 B 2 (CENTRE 2) -0.00000000 -1.72693350 -0.00064450 CHARGE = 5.0 H 3 (CENTRE 3) 0.00019210 4.00680992 0.00322251 CHARGE = 1.0 H 4 (CENTRE 4) -0.00019210 -4.00680992 0.00322251 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 1 1 1 1 1 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 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 3 3 3 3 3 3 3 4 4 4 4 4 4 4 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 TYPE ASSIGNMENTS 3 4 4 4 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 2 3 4 TYPE ASSIGNMENTS 5 6 7 8 9 10 1 1 1 1 2 3 4 1 1 1 1 2 3 4 EXPONENTS 0.4570000D+04 0.6859000D+03 0.1565000D+03 0.4447000D+02 0.1448000D+02 EXPONENTS 0.5131000D+01 0.1898000D+01 0.4570000D+04 0.1565000D+03 0.4447000D+02 EXPONENTS 0.1448000D+02 0.5131000D+01 0.1898000D+01 0.3329000D+00 0.1043000D+00 EXPONENTS 0.6001000D+01 0.1241000D+01 0.3364000D+00 0.6001000D+01 0.1241000D+01 EXPONENTS 0.3364000D+00 0.6001000D+01 0.1241000D+01 0.3364000D+00 0.9538000D-01 EXPONENTS 0.9538000D-01 0.9538000D-01 0.3430000D+00 0.3430000D+00 0.3430000D+00 EXPONENTS 0.3430000D+00 0.3430000D+00 0.3430000D+00 0.4570000D+04 0.6859000D+03 EXPONENTS 0.1565000D+03 0.4447000D+02 0.1448000D+02 0.5131000D+01 0.1898000D+01 EXPONENTS 0.4570000D+04 0.1565000D+03 0.4447000D+02 0.1448000D+02 0.5131000D+01 EXPONENTS 0.1898000D+01 0.3329000D+00 0.1043000D+00 0.6001000D+01 0.1241000D+01 EXPONENTS 0.3364000D+00 0.6001000D+01 0.1241000D+01 0.3364000D+00 0.6001000D+01 EXPONENTS 0.1241000D+01 0.3364000D+00 0.9538000D-01 0.9538000D-01 0.9538000D-01 EXPONENTS 0.3430000D+00 0.3430000D+00 0.3430000D+00 0.3430000D+00 0.3430000D+00 EXPONENTS 0.3430000D+00 0.1301000D+02 0.1962000D+01 0.4446000D+00 0.1220000D+00 EXPONENTS 0.7270000D+00 0.7270000D+00 0.7270000D+00 0.1301000D+02 0.1962000D+01 EXPONENTS 0.4446000D+00 0.1220000D+00 0.7270000D+00 0.7270000D+00 0.7270000D+00 MO 1 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -7.500223 0.19466788D+00 0.36107765D+00 0.60416846D+00 0.87889969D+00 0.10167387D+01 0.77147860D+00 0.23765634D+00 0.66838288D-04 0.17081880D-03 -0.64988647D-03 -0.98248648D-03 -0.52862231D-02 -0.38556032D-02 0.78701200D-02 -0.18886235D-02 0.49203383D-07 0.38305170D-07 0.19110792D-07 -0.15960111D-02 -0.12425055D-02 -0.61989714D-03 -0.71100263D-06 -0.55352040D-06 -0.27615629D-06 0.29831072D-07 0.10434993D-02 0.10544467D-05 -0.77618393D-03 0.15523646D-02 -0.77618071D-03 0.15146170D-06 0.23793866D-09 0.50784593D-05 -0.19466788D+00 -0.36107765D+00 -0.60416846D+00 -0.87889969D+00 -0.10167387D+01 -0.77147860D+00 -0.23765634D+00 -0.66838288D-04 -0.17081880D-03 0.64988647D-03 0.98248648D-03 0.52862231D-02 0.38556032D-02 -0.78701200D-02 0.18886235D-02 0.49203383D-07 0.38305170D-07 0.19110792D-07 -0.15960111D-02 -0.12425055D-02 -0.61989714D-03 0.71100263D-06 0.55352040D-06 0.27615629D-06 0.29831072D-07 0.10434993D-02 -0.10544467D-05 0.77618393D-03 -0.15523646D-02 0.77618071D-03 -0.15146170D-06 0.23793866D-09 0.50784593D-05 -0.68807416D-03 -0.11671396D-02 -0.13284074D-02 -0.11527949D-02 0.40554856D-06 0.20188289D-02 0.60536657D-05 0.68807416D-03 0.11671396D-02 0.13284074D-02 0.11527949D-02 0.40554856D-06 0.20188289D-02 -0.60536657D-05 MO 2 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -7.500207 0.19466837D+00 0.36107856D+00 0.60417000D+00 0.87890192D+00 0.10167413D+01 0.77148056D+00 0.23765695D+00 0.51385543D-04 0.13132617D-03 -0.49963532D-03 -0.75533953D-03 -0.40640694D-02 -0.29642032D-02 0.60505797D-02 -0.72913502D-03 -0.76245405D-07 -0.59357568D-07 -0.29614023D-07 0.13480219D-03 0.10494442D-03 0.52357713D-04 -0.64115784D-06 -0.49914576D-06 -0.24902829D-06 0.60070277D-09 0.49632286D-04 0.57788754D-07 -0.14701612D-04 0.29402405D-04 -0.14700793D-04 0.10826839D-06 0.12128507D-09 0.82327353D-06 0.19466837D+00 0.36107856D+00 0.60417000D+00 0.87890192D+00 0.10167413D+01 0.77148056D+00 0.23765695D+00 0.51385543D-04 0.13132617D-03 -0.49963532D-03 -0.75533953D-03 -0.40640694D-02 -0.29642032D-02 0.60505797D-02 -0.72913502D-03 0.76245405D-07 0.59357568D-07 0.29614023D-07 -0.13480219D-03 -0.10494442D-03 -0.52357713D-04 -0.64115784D-06 -0.49914576D-06 -0.24902829D-06 -0.60070277D-09 -0.49632286D-04 0.57788754D-07 -0.14701612D-04 0.29402405D-04 -0.14700793D-04 0.10826839D-06 -0.12128507D-09 -0.82327353D-06 -0.20288278D-03 -0.34413809D-03 -0.39168887D-03 0.92951408D-04 -0.17205392D-07 0.48009620D-03 0.57155133D-06 -0.20288278D-03 -0.34413809D-03 -0.39168887D-03 0.92951408D-04 0.17205392D-07 -0.48009620D-03 0.57155133D-06 MO 3 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -1.105451 -0.39855500D-01 -0.73925551D-01 -0.12369496D+00 -0.17994230D+00 -0.20816290D+00 -0.15794935D+00 -0.48656781D-01 0.11176387D-02 0.28563523D-02 -0.10867099D-01 -0.16428681D-01 -0.88393757D-01 -0.64471599D-01 0.13160048D+00 0.23169099D-01 0.78402191D-06 0.61036642D-06 0.30451727D-06 -0.11132142D+00 -0.86664486D-01 -0.43237688D-01 0.19821663D-04 0.15431300D-04 0.76988138D-05 0.64100973D-07 -0.16446472D-02 0.32052831D-06 -0.39889327D-02 0.79778625D-02 -0.39889298D-02 0.33824938D-06 0.35898143D-09 0.80035207D-05 -0.39855500D-01 -0.73925551D-01 -0.12369496D+00 -0.17994230D+00 -0.20816290D+00 -0.15794935D+00 -0.48656781D-01 0.11176387D-02 0.28563523D-02 -0.10867099D-01 -0.16428681D-01 -0.88393757D-01 -0.64471599D-01 0.13160048D+00 0.23169099D-01 -0.78402191D-06 -0.61036642D-06 -0.30451727D-06 0.11132142D+00 0.86664486D-01 0.43237688D-01 0.19821663D-04 0.15431300D-04 0.76988138D-05 -0.64100973D-07 0.16446472D-02 0.32052831D-06 -0.39889327D-02 0.79778625D-02 -0.39889298D-02 0.33824938D-06 -0.35898143D-09 -0.80035207D-05 0.15684504D-01 0.26604699D-01 0.30280765D-01 0.29177408D-03 -0.29314859D-06 -0.10212305D-01 -0.62816163D-05 0.15684504D-01 0.26604699D-01 0.30280765D-01 0.29177408D-03 0.29314859D-06 0.10212305D-01 -0.62816163D-05 MO 4 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -1.001647 -0.31098684D-01 -0.57683063D-01 -0.96517433D-01 -0.14040644D+00 -0.16242657D+00 -0.12324565D+00 -0.37966199D-01 0.87608269D-03 0.22390069D-02 -0.85183854D-02 -0.12877939D-01 -0.69289156D-01 -0.50537310D-01 0.10315758D+00 0.25512874D-01 0.10509926D-04 0.81820491D-05 0.40820976D-05 0.15463345D+00 0.12038320D+00 0.60060255D-01 0.18307749D-03 0.14252708D-03 0.71108037D-04 0.13192629D-06 -0.26204070D-03 0.21488044D-05 0.15934386D-02 -0.31868832D-02 0.15934446D-02 0.31756044D-07 0.67423014D-09 0.26641529D-05 0.31098684D-01 0.57683063D-01 0.96517433D-01 0.14040644D+00 0.16242657D+00 0.12324565D+00 0.37966199D-01 -0.87608269D-03 -0.22390069D-02 0.85183854D-02 0.12877939D-01 0.69289156D-01 0.50537310D-01 -0.10315758D+00 -0.25512874D-01 0.10509926D-04 0.81820491D-05 0.40820976D-05 0.15463345D+00 0.12038320D+00 0.60060255D-01 -0.18307749D-03 -0.14252708D-03 -0.71108037D-04 0.13192629D-06 -0.26204070D-03 -0.21488044D-05 -0.15934386D-02 0.31868832D-02 -0.15934446D-02 -0.31756044D-07 0.67423014D-09 0.26641529D-05 0.44512104D-01 0.75503256D-01 0.85935809D-01 0.64938859D-02 -0.24462332D-05 -0.25088749D-01 -0.49973920D-04 -0.44512104D-01 -0.75503256D-01 -0.85935809D-01 -0.64938859D-02 -0.24462332D-05 -0.25088749D-01 0.49973920D-04 MO 5 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = -0.948977 -0.60117057D-02 -0.11150748D-01 -0.18657844D-01 -0.27142055D-01 -0.31398781D-01 -0.23824692D-01 -0.73392692D-02 0.14894717D-03 0.38066470D-03 -0.14482531D-02 -0.21894425D-02 -0.11780194D-01 -0.85920993D-02 0.17538333D-01 0.60756045D-02 0.12554093D-04 0.97734474D-05 0.48760604D-05 0.30294304D+00 0.23584323D+00 0.11766430D+00 0.34539577D-03 0.26889296D-03 0.13415311D-03 0.27862894D-06 0.47326311D-02 0.66701168D-05 0.69676145D-03 -0.13935326D-02 0.69677113D-03 0.48329336D-06 0.94863561D-09 -0.34615790D-06 -0.60117057D-02 -0.11150748D-01 -0.18657844D-01 -0.27142055D-01 -0.31398781D-01 -0.23824692D-01 -0.73392692D-02 0.14894717D-03 0.38066470D-03 -0.14482531D-02 -0.21894425D-02 -0.11780194D-01 -0.85920993D-02 0.17538333D-01 0.60756045D-02 -0.12554093D-04 -0.97734474D-05 -0.48760604D-05 -0.30294304D+00 -0.23584323D+00 -0.11766430D+00 0.34539577D-03 0.26889296D-03 0.13415311D-03 -0.27862894D-06 -0.47326311D-02 0.66701168D-05 0.69676145D-03 -0.13935326D-02 0.69677113D-03 0.48329336D-06 -0.94863561D-09 0.34615790D-06 0.44294943D-01 0.75134899D-01 0.85516555D-01 0.56928824D-02 -0.16232051D-05 -0.17900437D-01 -0.29287948D-04 0.44294943D-01 0.75134899D-01 0.85516555D-01 0.56928824D-02 0.16232051D-05 0.17900437D-01 -0.29287948D-04 END DATA TOTAL ENERGY = -49.827487672747 THE VIRIAL(-V/T)= 2.01037388