Molden2AIM, Version 2.0.7 (05/10/2013) Time: Fri Apr 8 14:39:22 2016 GAUSSIAN 118 MOL ORBITALS 811 PRIMITIVES 28 NUCLEI Pr 1 (CENTRE 1) 0.01041879 -0.00007896 0.00344500 CHARGE = 59.0 O 2 (CENTRE 2) -0.00383108 3.20192022 3.46363645 CHARGE = 8.0 O 3 (CENTRE 3) 4.12868015 0.00061796 2.38371424 CHARGE = 8.0 O 4 (CENTRE 4) -0.00274635 -0.00148520 -4.75936424 CHARGE = 8.0 O 5 (CENTRE 5) -2.97743605 -3.21712799 -1.71677734 CHARGE = 8.0 O 6 (CENTRE 6) 2.98877002 -3.21484383 -1.73110245 CHARGE = 8.0 O 7 (CENTRE 7) 0.00261718 -3.20250980 3.46287854 CHARGE = 8.0 O 8 (CENTRE 8) -4.12356197 -0.00090517 2.36877349 CHARGE = 8.0 O 9 (CENTRE 9) -2.97448579 3.21835299 -1.72007126 CHARGE = 8.0 O 10 (CENTRE 10) 2.99132601 3.21394919 -1.72880130 CHARGE = 8.0 H 11 (CENTRE 11) 2.73415517 -4.13648656 -3.27099323 CHARGE = 1.0 H 12 (CENTRE 12) 4.20842037 -4.16221082 -0.78204529 CHARGE = 1.0 H 13 (CENTRE 13) -4.19246847 -4.14269588 -0.74085894 CHARGE = 1.0 H 14 (CENTRE 14) -2.74601735 -4.16226891 -3.24615644 CHARGE = 1.0 H 15 (CENTRE 15) -1.44843466 -4.13790642 4.01529409 CHARGE = 1.0 H 16 (CENTRE 16) 1.44426940 -4.14795357 4.02301677 CHARGE = 1.0 H 17 (CENTRE 17) -5.78642838 0.00082780 1.64523775 CHARGE = 1.0 H 18 (CENTRE 18) -4.36577201 -0.00186576 4.16602151 CHARGE = 1.0 H 19 (CENTRE 19) 4.34028142 0.00236252 4.18478190 CHARGE = 1.0 H 20 (CENTRE 20) 5.80328347 0.00006928 1.68791390 CHARGE = 1.0 H 21 (CENTRE 21) -1.46204410 -0.00069631 -5.83607744 CHARGE = 1.0 H 22 (CENTRE 22) 1.43154753 0.00224167 -5.86913396 CHARGE = 1.0 H 23 (CENTRE 23) 2.74585672 4.13978177 -3.26771441 CHARGE = 1.0 H 24 (CENTRE 24) 4.21082635 4.15511052 -0.77343335 CHARGE = 1.0 H 25 (CENTRE 25) -4.18999118 4.15039794 -0.75088274 CHARGE = 1.0 H 26 (CENTRE 26) -2.73545789 4.15886092 -3.25111858 CHARGE = 1.0 H 27 (CENTRE 27) -1.46215077 4.12967579 4.00961244 CHARGE = 1.0 H 28 (CENTRE 28) 1.43037347 4.15486660 4.03020491 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 0.6692068D+05 0.1090662D+05 0.2635415D+04 0.7139051D+03 0.1400139D+03 EXPONENTS 0.3812800D+02 0.2698550D+02 0.1249590D+02 0.3187800D+01 0.1645100D+01 EXPONENTS 0.6185000D+00 0.2731000D+00 0.5060000D-01 0.2120000D-01 0.3932057D+04 EXPONENTS 0.1373440D+04 0.6476748D+03 0.1868992D+03 0.2763060D+02 0.1960400D+02 EXPONENTS 0.3932057D+04 0.1373440D+04 0.6476748D+03 0.1868992D+03 0.2763060D+02 EXPONENTS 0.1960400D+02 0.3932057D+04 0.1373440D+04 0.6476748D+03 0.1868992D+03 EXPONENTS 0.2763060D+02 0.1960400D+02 0.1392240D+02 0.1392240D+02 0.1392240D+02 EXPONENTS 0.4724000D+01 0.4724000D+01 0.4724000D+01 0.2464800D+01 0.2464800D+01 EXPONENTS 0.2464800D+01 0.1158800D+01 0.1158800D+01 0.1158800D+01 0.5460000D+00 EXPONENTS 0.5460000D+00 0.5460000D+00 0.2359000D+00 0.2359000D+00 0.2359000D+00 EXPONENTS 0.8000000D-01 0.8000000D-01 0.8000000D-01 0.3559615D+03 0.1071414D+03 EXPONENTS 0.3755620D+02 0.1508590D+02 0.7383200D+01 0.3979500D+01 0.3559615D+03 EXPONENTS 0.1071414D+03 0.3755620D+02 0.1508590D+02 0.7383200D+01 0.3979500D+01 EXPONENTS 0.3559615D+03 0.1071414D+03 0.3755620D+02 0.1508590D+02 0.7383200D+01 EXPONENTS 0.3979500D+01 0.3559615D+03 0.1071414D+03 0.3755620D+02 0.1508590D+02 EXPONENTS 0.7383200D+01 0.3979500D+01 0.3559615D+03 0.1071414D+03 0.3755620D+02 EXPONENTS 0.1508590D+02 0.7383200D+01 0.3979500D+01 0.3559615D+03 0.1071414D+03 EXPONENTS 0.3755620D+02 0.1508590D+02 0.7383200D+01 0.3979500D+01 0.2046900D+01 EXPONENTS 0.2046900D+01 0.2046900D+01 0.2046900D+01 0.2046900D+01 0.2046900D+01 EXPONENTS 0.9794000D+00 0.9794000D+00 0.9794000D+00 0.9794000D+00 0.9794000D+00 EXPONENTS 0.9794000D+00 0.3296000D+00 0.3296000D+00 0.3296000D+00 0.3296000D+00 EXPONENTS 0.3296000D+00 0.3296000D+00 0.1026000D+00 0.1026000D+00 0.1026000D+00 EXPONENTS 0.1026000D+00 0.1026000D+00 0.1026000D+00 0.1245083D+03 0.4458370D+02 EXPONENTS 0.1987310D+02 0.8910200D+01 0.3997700D+01 0.1245083D+03 0.4458370D+02 EXPONENTS 0.1987310D+02 0.8910200D+01 0.3997700D+01 0.1245083D+03 0.4458370D+02 EXPONENTS 0.1987310D+02 0.8910200D+01 0.3997700D+01 0.1245083D+03 0.4458370D+02 EXPONENTS 0.1987310D+02 0.8910200D+01 0.3997700D+01 0.1245083D+03 0.4458370D+02 EXPONENTS 0.1987310D+02 0.8910200D+01 0.3997700D+01 0.1245083D+03 0.4458370D+02 EXPONENTS 0.1987310D+02 0.8910200D+01 0.3997700D+01 0.1245083D+03 0.4458370D+02 EXPONENTS 0.1987310D+02 0.8910200D+01 0.3997700D+01 0.1245083D+03 0.4458370D+02 EXPONENTS 0.1987310D+02 0.8910200D+01 0.3997700D+01 0.1245083D+03 0.4458370D+02 EXPONENTS 0.1987310D+02 0.8910200D+01 0.3997700D+01 0.1245083D+03 0.4458370D+02 EXPONENTS 0.1987310D+02 0.8910200D+01 0.3997700D+01 0.1728500D+01 0.1728500D+01 EXPONENTS 0.1728500D+01 0.1728500D+01 0.1728500D+01 0.1728500D+01 0.1728500D+01 EXPONENTS 0.1728500D+01 0.1728500D+01 0.1728500D+01 0.6936000D+00 0.6936000D+00 EXPONENTS 0.6936000D+00 0.6936000D+00 0.6936000D+00 0.6936000D+00 0.6936000D+00 EXPONENTS 0.6936000D+00 0.6936000D+00 0.6936000D+00 0.2418000D+00 0.2418000D+00 EXPONENTS 0.2418000D+00 0.2418000D+00 0.2418000D+00 0.2418000D+00 0.2418000D+00 EXPONENTS 0.2418000D+00 0.2418000D+00 0.2418000D+00 0.3540000D+00 0.3540000D+00 EXPONENTS 0.3540000D+00 0.3540000D+00 0.3540000D+00 0.3540000D+00 0.3540000D+00 EXPONENTS 0.3540000D+00 0.3540000D+00 0.3540000D+00 0.3540000D+00 0.3540000D+00 EXPONENTS 0.3540000D+00 0.3540000D+00 0.3540000D+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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-0.24327920D-02 0.50072544D-03 0.56867365D-02 -0.45898262D-02 -0.46200361D-02 0.13125106D-03 0.23688144D-03 0.34971618D-03 0.71005006D-03 -0.25914257D-03 0.66021267D-02 -0.55119902D-02 -0.36342488D-02 0.10027827D-02 0.18098186D-02 0.26718971D-02 0.11561324D-02 -0.58891332D-04 0.10368211D-01 0.78327237D-02 0.49848385D-02 0.13770710D-02 0.24853329D-02 0.36691820D-02 0.18212738D-02 -0.22519328D-03 0.92791148D-02 0.76397613D-02 0.67352298D-02 -0.14631259D-02 -0.26406444D-02 -0.38984736D-02 -0.23222459D-02 0.54307075D-03 -0.94081288D-03 -0.21908346D-02 0.38531228D-02 0.62013527D-03 0.11192179D-02 0.16523397D-02 0.13849446D-02 -0.39308198D-03 -0.19451738D-03 -0.32923340D-02 0.42603851D-02 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 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