Molden2AIM, Version 2.0.7 (05/10/2013) Time: Fri Apr 8 15:22:15 2016 GAUSSIAN 129 MOL ORBITALS 811 PRIMITIVES 28 NUCLEI Yb 1 (CENTRE 1) 0.01932675 -0.00025524 -0.01236277 CHARGE = 70.0 O 2 (CENTRE 2) 0.00415663 3.00167843 3.25404412 CHARGE = 8.0 O 3 (CENTRE 3) 3.95050130 -0.00036883 2.25796033 CHARGE = 8.0 O 4 (CENTRE 4) 0.01802913 -0.00030986 -4.55009423 CHARGE = 8.0 O 5 (CENTRE 5) -2.80267974 -3.01670776 -1.62288063 CHARGE = 8.0 O 6 (CENTRE 6) 2.81649301 -3.02286680 -1.62714065 CHARGE = 8.0 O 7 (CENTRE 7) 0.00648419 -3.00226252 3.25351253 CHARGE = 8.0 O 8 (CENTRE 8) -3.94011656 -0.00087256 2.26620512 CHARGE = 8.0 O 9 (CENTRE 9) -2.80110119 3.01726580 -1.62364468 CHARGE = 8.0 O 10 (CENTRE 10) 2.81752973 3.02234896 -1.62518940 CHARGE = 8.0 H 11 (CENTRE 11) 2.52505589 -3.99003822 -3.13103944 CHARGE = 1.0 H 12 (CENTRE 12) 4.00496050 -3.96747217 -0.63829187 CHARGE = 1.0 H 13 (CENTRE 13) -4.02708449 -3.91911840 -0.63896410 CHARGE = 1.0 H 14 (CENTRE 14) -2.56767188 -3.97333387 -3.14325304 CHARGE = 1.0 H 15 (CENTRE 15) -1.44595637 -3.94883440 3.77917910 CHARGE = 1.0 H 16 (CENTRE 16) 1.45215573 -3.94683549 3.80135052 CHARGE = 1.0 H 17 (CENTRE 17) -5.60899714 0.00074342 1.55849694 CHARGE = 1.0 H 18 (CENTRE 18) -4.15590755 -0.00017098 4.06633348 CHARGE = 1.0 H 19 (CENTRE 19) 4.15049824 0.00117426 4.05990305 CHARGE = 1.0 H 20 (CENTRE 20) 5.62476264 -0.00002130 1.56247023 CHARGE = 1.0 H 21 (CENTRE 21) -1.44090457 -0.00020375 -5.62624969 CHARGE = 1.0 H 22 (CENTRE 22) 1.46007877 0.00063780 -5.64874262 CHARGE = 1.0 H 23 (CENTRE 23) 2.53091176 3.99338624 -3.12754824 CHARGE = 1.0 H 24 (CENTRE 24) 4.00511082 3.96309651 -0.63161937 CHARGE = 1.0 H 25 (CENTRE 25) -4.02783110 3.92171866 -0.64448453 CHARGE = 1.0 H 26 (CENTRE 26) -2.56297657 3.97075054 -3.14551779 CHARGE = 1.0 H 27 (CENTRE 27) -1.45139457 3.94641421 3.77432456 CHARGE = 1.0 H 28 (CENTRE 28) 1.44656662 3.95045733 3.80324308 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 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 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 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 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 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 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 4 4 4 4 4 4 4 4 CENTRE ASSIGNMENTS 4 5 5 5 5 5 5 5 5 5 5 5 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 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 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 6 6 6 6 6 6 6 6 6 6 6 6 CENTRE ASSIGNMENTS 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 CENTRE ASSIGNMENTS 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 CENTRE ASSIGNMENTS 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 CENTRE ASSIGNMENTS 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 CENTRE ASSIGNMENTS 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 CENTRE ASSIGNMENTS 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 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 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 CENTRE ASSIGNMENTS 10 10 10 10 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 10 10 10 10 10 10 10 10 CENTRE ASSIGNMENTS 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 CENTRE ASSIGNMENTS 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 CENTRE ASSIGNMENTS 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 17 CENTRE ASSIGNMENTS 17 17 17 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 20 CENTRE ASSIGNMENTS 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 22 22 22 22 22 CENTRE ASSIGNMENTS 22 22 22 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 25 CENTRE ASSIGNMENTS 25 25 25 25 25 25 25 26 26 26 26 26 26 26 26 27 27 27 27 27 CENTRE ASSIGNMENTS 27 27 27 28 28 28 28 28 28 28 28 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 TYPE ASSIGNMENTS 3 3 3 3 3 3 4 4 4 4 4 4 2 3 4 2 3 4 2 3 TYPE ASSIGNMENTS 4 2 3 4 2 3 4 2 3 4 2 3 4 5 5 5 5 5 5 6 TYPE ASSIGNMENTS 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 TYPE ASSIGNMENTS 9 9 9 10 10 10 10 10 10 5 6 7 8 9 10 5 6 7 8 9 TYPE ASSIGNMENTS 10 5 6 7 8 9 10 5 6 7 8 9 10 11 11 11 11 11 12 12 TYPE ASSIGNMENTS 12 12 12 13 13 13 13 13 17 17 17 17 17 14 14 14 14 14 15 15 TYPE ASSIGNMENTS 15 15 15 18 18 18 18 18 19 19 19 19 19 16 16 16 16 16 20 20 TYPE ASSIGNMENTS 20 20 20 11 12 13 17 14 15 18 19 16 20 11 12 13 17 14 15 18 TYPE ASSIGNMENTS 19 16 20 11 12 13 17 14 15 18 19 16 20 21 22 23 24 25 26 27 TYPE ASSIGNMENTS 28 29 30 31 32 33 34 35 1 1 1 1 1 1 1 1 1 1 1 2 TYPE ASSIGNMENTS 2 2 2 3 3 3 3 4 4 4 4 2 3 4 2 3 4 5 6 7 TYPE ASSIGNMENTS 8 9 10 5 6 7 8 9 10 11 12 13 17 14 15 18 19 16 20 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 TYPE ASSIGNMENTS 4 4 2 3 4 2 3 4 5 6 7 8 9 10 5 6 7 8 9 10 TYPE ASSIGNMENTS 11 12 13 17 14 15 18 19 16 20 1 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 2 2 2 2 3 3 3 3 4 4 4 4 2 3 4 2 3 4 5 TYPE ASSIGNMENTS 6 7 8 9 10 5 6 7 8 9 10 11 12 13 17 14 15 18 19 16 TYPE ASSIGNMENTS 20 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 TYPE ASSIGNMENTS 4 4 4 4 2 3 4 2 3 4 5 6 7 8 9 10 5 6 7 8 TYPE ASSIGNMENTS 9 10 11 12 13 17 14 15 18 19 16 20 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 2 3 4 2 3 TYPE ASSIGNMENTS 4 5 6 7 8 9 10 5 6 7 8 9 10 11 12 13 17 14 15 18 TYPE ASSIGNMENTS 19 16 20 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 TYPE ASSIGNMENTS 3 3 4 4 4 4 2 3 4 2 3 4 5 6 7 8 9 10 5 6 TYPE ASSIGNMENTS 7 8 9 10 11 12 13 17 14 15 18 19 16 20 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 2 3 4 TYPE ASSIGNMENTS 2 3 4 5 6 7 8 9 10 5 6 7 8 9 10 11 12 13 17 14 TYPE ASSIGNMENTS 15 18 19 16 20 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 TYPE ASSIGNMENTS 3 3 3 3 4 4 4 4 2 3 4 2 3 4 5 6 7 8 9 10 TYPE ASSIGNMENTS 5 6 7 8 9 10 11 12 13 17 14 15 18 19 16 20 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 2 TYPE ASSIGNMENTS 3 4 2 3 4 5 6 7 8 9 10 5 6 7 8 9 10 11 12 13 TYPE ASSIGNMENTS 17 14 15 18 19 16 20 1 1 1 1 1 2 3 4 1 1 1 1 1 TYPE ASSIGNMENTS 2 3 4 1 1 1 1 1 2 3 4 1 1 1 1 1 2 3 4 1 TYPE ASSIGNMENTS 1 1 1 1 2 3 4 1 1 1 1 1 2 3 4 1 1 1 1 1 TYPE ASSIGNMENTS 2 3 4 1 1 1 1 1 2 3 4 1 1 1 1 1 2 3 4 1 TYPE ASSIGNMENTS 1 1 1 1 2 3 4 1 1 1 1 1 2 3 4 1 1 1 1 1 TYPE ASSIGNMENTS 2 3 4 1 1 1 1 1 2 3 4 1 1 1 1 1 2 3 4 1 TYPE ASSIGNMENTS 1 1 1 1 2 3 4 1 1 1 1 1 2 3 4 1 1 1 1 1 TYPE ASSIGNMENTS 2 3 4 1 1 1 1 1 2 3 4 EXPONENTS 0.9197290D+05 0.1378737D+05 0.3123613D+04 0.8714754D+03 0.2504630D+03 EXPONENTS 0.5828270D+02 0.4163050D+02 0.2021640D+02 0.4997200D+01 0.2482200D+01 EXPONENTS 0.9179000D+00 0.3853000D+00 0.6140000D-01 0.2500000D-01 0.3731962D+04 EXPONENTS 0.8880224D+03 0.2879351D+03 0.1071471D+03 0.3532520D+02 0.1980280D+02 EXPONENTS 0.3731962D+04 0.8880224D+03 0.2879351D+03 0.1071471D+03 0.3532520D+02 EXPONENTS 0.1980280D+02 0.3731962D+04 0.8880224D+03 0.2879351D+03 0.1071471D+03 EXPONENTS 0.3532520D+02 0.1980280D+02 0.1414490D+02 0.1414490D+02 0.1414490D+02 EXPONENTS 0.6284400D+01 0.6284400D+01 0.6284400D+01 0.3114500D+01 0.3114500D+01 EXPONENTS 0.3114500D+01 0.1382700D+01 0.1382700D+01 0.1382700D+01 0.6273000D+00 EXPONENTS 0.6273000D+00 0.6273000D+00 0.2703000D+00 0.2703000D+00 0.2703000D+00 EXPONENTS 0.8000000D-01 0.8000000D-01 0.8000000D-01 0.4697606D+03 0.1426128D+03 EXPONENTS 0.5512670D+02 0.2344150D+02 0.9495100D+01 0.4579200D+01 0.4697606D+03 EXPONENTS 0.1426128D+03 0.5512670D+02 0.2344150D+02 0.9495100D+01 0.4579200D+01 EXPONENTS 0.4697606D+03 0.1426128D+03 0.5512670D+02 0.2344150D+02 0.9495100D+01 EXPONENTS 0.4579200D+01 0.4697606D+03 0.1426128D+03 0.5512670D+02 0.2344150D+02 EXPONENTS 0.9495100D+01 0.4579200D+01 0.4697606D+03 0.1426128D+03 0.5512670D+02 EXPONENTS 0.2344150D+02 0.9495100D+01 0.4579200D+01 0.4697606D+03 0.1426128D+03 EXPONENTS 0.5512670D+02 0.2344150D+02 0.9495100D+01 0.4579200D+01 0.2164600D+01 EXPONENTS 0.2164600D+01 0.2164600D+01 0.2164600D+01 0.2164600D+01 0.2164600D+01 EXPONENTS 0.9238000D+00 0.9238000D+00 0.9238000D+00 0.9238000D+00 0.9238000D+00 EXPONENTS 0.9238000D+00 0.3107000D+00 0.3107000D+00 0.3107000D+00 0.3107000D+00 EXPONENTS 0.3107000D+00 0.3107000D+00 0.9140000D-01 0.9140000D-01 0.9140000D-01 EXPONENTS 0.9140000D-01 0.9140000D-01 0.9140000D-01 0.1420293D+03 0.5108620D+02 EXPONENTS 0.2287410D+02 0.1050250D+02 0.4787200D+01 0.1420293D+03 0.5108620D+02 EXPONENTS 0.2287410D+02 0.1050250D+02 0.4787200D+01 0.1420293D+03 0.5108620D+02 EXPONENTS 0.2287410D+02 0.1050250D+02 0.4787200D+01 0.1420293D+03 0.5108620D+02 EXPONENTS 0.2287410D+02 0.1050250D+02 0.4787200D+01 0.1420293D+03 0.5108620D+02 EXPONENTS 0.2287410D+02 0.1050250D+02 0.4787200D+01 0.1420293D+03 0.5108620D+02 EXPONENTS 0.2287410D+02 0.1050250D+02 0.4787200D+01 0.1420293D+03 0.5108620D+02 EXPONENTS 0.2287410D+02 0.1050250D+02 0.4787200D+01 0.1420293D+03 0.5108620D+02 EXPONENTS 0.2287410D+02 0.1050250D+02 0.4787200D+01 0.1420293D+03 0.5108620D+02 EXPONENTS 0.2287410D+02 0.1050250D+02 0.4787200D+01 0.1420293D+03 0.5108620D+02 EXPONENTS 0.2287410D+02 0.1050250D+02 0.4787200D+01 0.2108800D+01 0.2108800D+01 EXPONENTS 0.2108800D+01 0.2108800D+01 0.2108800D+01 0.2108800D+01 0.2108800D+01 EXPONENTS 0.2108800D+01 0.2108800D+01 0.2108800D+01 0.8609000D+00 0.8609000D+00 EXPONENTS 0.8609000D+00 0.8609000D+00 0.8609000D+00 0.8609000D+00 0.8609000D+00 EXPONENTS 0.8609000D+00 0.8609000D+00 0.8609000D+00 0.3060000D+00 0.3060000D+00 EXPONENTS 0.3060000D+00 0.3060000D+00 0.3060000D+00 0.3060000D+00 0.3060000D+00 EXPONENTS 0.3060000D+00 0.3060000D+00 0.3060000D+00 0.3900000D+00 0.3900000D+00 EXPONENTS 0.3900000D+00 0.3900000D+00 0.3900000D+00 0.3900000D+00 0.3900000D+00 EXPONENTS 0.3900000D+00 0.3900000D+00 0.3900000D+00 0.3900000D+00 0.3900000D+00 EXPONENTS 0.3900000D+00 0.3900000D+00 0.3900000D+00 0.2703238D+05 0.4052387D+04 EXPONENTS 0.9223272D+03 0.2612407D+03 0.8535464D+02 0.3103504D+02 0.1226086D+02 EXPONENTS 0.4998708D+01 0.1170311D+01 0.4647474D+00 0.1850454D+00 0.6327495D+02 EXPONENTS 0.1462705D+02 0.4450122D+01 0.1527580D+01 0.6327495D+02 0.1462705D+02 EXPONENTS 0.4450122D+01 0.1527580D+01 0.6327495D+02 0.1462705D+02 0.4450122D+01 EXPONENTS 0.1527580D+01 0.5293512D+00 0.5293512D+00 0.5293512D+00 0.1747842D+00 EXPONENTS 0.1747842D+00 0.1747842D+00 0.2314000D+01 0.2314000D+01 0.2314000D+01 EXPONENTS 0.2314000D+01 0.2314000D+01 0.2314000D+01 0.6450000D+00 0.6450000D+00 EXPONENTS 0.6450000D+00 0.6450000D+00 0.6450000D+00 0.6450000D+00 0.1428000D+01 EXPONENTS 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 EXPONENTS 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.2703238D+05 EXPONENTS 0.4052387D+04 0.9223272D+03 0.2612407D+03 0.8535464D+02 0.3103504D+02 EXPONENTS 0.1226086D+02 0.4998708D+01 0.1170311D+01 0.4647474D+00 0.1850454D+00 EXPONENTS 0.6327495D+02 0.1462705D+02 0.4450122D+01 0.1527580D+01 0.6327495D+02 EXPONENTS 0.1462705D+02 0.4450122D+01 0.1527580D+01 0.6327495D+02 0.1462705D+02 EXPONENTS 0.4450122D+01 0.1527580D+01 0.5293512D+00 0.5293512D+00 0.5293512D+00 EXPONENTS 0.1747842D+00 0.1747842D+00 0.1747842D+00 0.2314000D+01 0.2314000D+01 EXPONENTS 0.2314000D+01 0.2314000D+01 0.2314000D+01 0.2314000D+01 0.6450000D+00 EXPONENTS 0.6450000D+00 0.6450000D+00 0.6450000D+00 0.6450000D+00 0.6450000D+00 EXPONENTS 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 EXPONENTS 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 EXPONENTS 0.2703238D+05 0.4052387D+04 0.9223272D+03 0.2612407D+03 0.8535464D+02 EXPONENTS 0.3103504D+02 0.1226086D+02 0.4998708D+01 0.1170311D+01 0.4647474D+00 EXPONENTS 0.1850454D+00 0.6327495D+02 0.1462705D+02 0.4450122D+01 0.1527580D+01 EXPONENTS 0.6327495D+02 0.1462705D+02 0.4450122D+01 0.1527580D+01 0.6327495D+02 EXPONENTS 0.1462705D+02 0.4450122D+01 0.1527580D+01 0.5293512D+00 0.5293512D+00 EXPONENTS 0.5293512D+00 0.1747842D+00 0.1747842D+00 0.1747842D+00 0.2314000D+01 EXPONENTS 0.2314000D+01 0.2314000D+01 0.2314000D+01 0.2314000D+01 0.2314000D+01 EXPONENTS 0.6450000D+00 0.6450000D+00 0.6450000D+00 0.6450000D+00 0.6450000D+00 EXPONENTS 0.6450000D+00 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 EXPONENTS 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 EXPONENTS 0.1428000D+01 0.2703238D+05 0.4052387D+04 0.9223272D+03 0.2612407D+03 EXPONENTS 0.8535464D+02 0.3103504D+02 0.1226086D+02 0.4998708D+01 0.1170311D+01 EXPONENTS 0.4647474D+00 0.1850454D+00 0.6327495D+02 0.1462705D+02 0.4450122D+01 EXPONENTS 0.1527580D+01 0.6327495D+02 0.1462705D+02 0.4450122D+01 0.1527580D+01 EXPONENTS 0.6327495D+02 0.1462705D+02 0.4450122D+01 0.1527580D+01 0.5293512D+00 EXPONENTS 0.5293512D+00 0.5293512D+00 0.1747842D+00 0.1747842D+00 0.1747842D+00 EXPONENTS 0.2314000D+01 0.2314000D+01 0.2314000D+01 0.2314000D+01 0.2314000D+01 EXPONENTS 0.2314000D+01 0.6450000D+00 0.6450000D+00 0.6450000D+00 0.6450000D+00 EXPONENTS 0.6450000D+00 0.6450000D+00 0.1428000D+01 0.1428000D+01 0.1428000D+01 EXPONENTS 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 0.1428000D+01 EXPONENTS 0.1428000D+01 0.1428000D+01 0.2703238D+05 0.4052387D+04 0.9223272D+03 EXPONENTS 0.2612407D+03 0.8535464D+02 0.3103504D+02 0.1226086D+02 0.4998708D+01 EXPONENTS 0.1170311D+01 0.4647474D+00 0.1850454D+00 0.6327495D+02 0.1462705D+02 EXPONENTS 0.4450122D+01 0.1527580D+01 0.6327495D+02 0.1462705D+02 0.4450122D+01 EXPONENTS 0.1527580D+01 0.6327495D+02 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-0.23015030D-02 0.51789338D-03 -0.19898562D-02 0.19450837D-02 0.37009432D-03 0.19565344D-02 0.35311463D-02 0.52131520D-02 0.32528404D-02 -0.42571554D-03 -0.18602624D-02 0.23259061D-03 -0.18572472D-03 0.21717209D-02 0.39195142D-02 0.57865128D-02 0.33093051D-02 -0.45945855D-03 0.85694502D-02 0.57649838D-02 0.34440806D-02 0.15907454D-04 0.28709717D-04 0.42385136D-04 -0.40217742D-03 0.11163682D-03 0.78133402D-02 0.68282959D-02 0.50065790D-02 -0.18713191D-02 -0.33773501D-02 -0.49860975D-02 -0.25468372D-02 0.47199700D-03 -0.14649177D-02 -0.66731859D-02 0.10636953D-01 -0.75788119D-03 -0.13678213D-02 -0.20193613D-02 -0.73601651D-03 0.11044399D-03 0.67678077D-03 -0.72728251D-02 0.10843677D-01 END DATA THE HF ENERGY = 0.000000000000 THE VIRIAL(-V/T)= 2.00000000 $MOSPIN $END 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2