[Molden Format] [Atoms] Angs C 1 6 0.2204700360 1.0901382590 0.0000000000 C 2 6 -0.8076217785 -0.8590830822 0.0000000000 C 3 6 0.5511935199 -1.0213513940 0.0000000000 N 4 7 -1.0072664730 0.5022683564 0.0000000000 N 5 7 1.1864971159 0.2015288546 0.0000000000 H 6 1 0.3466197451 2.1577111163 0.0000000000 H 7 1 -1.8918115470 0.9742320706 0.0000000000 H 8 1 -1.6212080274 -1.5587400929 0.0000000000 H 9 1 1.1042550200 -1.9420863307 0.0000000000 [GTO] 1 0 s 9 1.00 0.6665000000E+04 0.6920000000E-03 0.1000000000E+04 0.5329000000E-02 0.2280000000E+03 0.2707700000E-01 0.6471000000E+02 0.1017180000E+00 0.2106000000E+02 0.2747400000E+00 0.7495000000E+01 0.4485640000E+00 0.2797000000E+01 0.2850740000E+00 0.5215000000E+00 0.1520400000E-01 0.1596000000E+00 -0.3191000000E-02 s 9 1.00 0.6665000000E+04 -0.1460000000E-03 0.1000000000E+04 -0.1154000000E-02 0.2280000000E+03 -0.5725000000E-02 0.6471000000E+02 -0.2331200000E-01 0.2106000000E+02 -0.6395500000E-01 0.7495000000E+01 -0.1499810000E+00 0.2797000000E+01 -0.1272620000E+00 0.5215000000E+00 0.5445290000E+00 0.1596000000E+00 0.5804960000E+00 s 1 1.00 0.1596000000E+00 0.1000000000E+01 p 4 1.00 0.9439000000E+01 0.3810900000E-01 0.2002000000E+01 0.2094800000E+00 0.5456000000E+00 0.5085570000E+00 0.1517000000E+00 0.4688420000E+00 p 1 1.00 0.1517000000E+00 0.1000000000E+01 d 1 1.00 0.5500000000E+00 0.1000000000E+01 2 0 s 9 1.00 0.6665000000E+04 0.6920000000E-03 0.1000000000E+04 0.5329000000E-02 0.2280000000E+03 0.2707700000E-01 0.6471000000E+02 0.1017180000E+00 0.2106000000E+02 0.2747400000E+00 0.7495000000E+01 0.4485640000E+00 0.2797000000E+01 0.2850740000E+00 0.5215000000E+00 0.1520400000E-01 0.1596000000E+00 -0.3191000000E-02 s 9 1.00 0.6665000000E+04 -0.1460000000E-03 0.1000000000E+04 -0.1154000000E-02 0.2280000000E+03 -0.5725000000E-02 0.6471000000E+02 -0.2331200000E-01 0.2106000000E+02 -0.6395500000E-01 0.7495000000E+01 -0.1499810000E+00 0.2797000000E+01 -0.1272620000E+00 0.5215000000E+00 0.5445290000E+00 0.1596000000E+00 0.5804960000E+00 s 1 1.00 0.1596000000E+00 0.1000000000E+01 p 4 1.00 0.9439000000E+01 0.3810900000E-01 0.2002000000E+01 0.2094800000E+00 0.5456000000E+00 0.5085570000E+00 0.1517000000E+00 0.4688420000E+00 p 1 1.00 0.1517000000E+00 0.1000000000E+01 d 1 1.00 0.5500000000E+00 0.1000000000E+01 3 0 s 9 1.00 0.6665000000E+04 0.6920000000E-03 0.1000000000E+04 0.5329000000E-02 0.2280000000E+03 0.2707700000E-01 0.6471000000E+02 0.1017180000E+00 0.2106000000E+02 0.2747400000E+00 0.7495000000E+01 0.4485640000E+00 0.2797000000E+01 0.2850740000E+00 0.5215000000E+00 0.1520400000E-01 0.1596000000E+00 -0.3191000000E-02 s 9 1.00 0.6665000000E+04 -0.1460000000E-03 0.1000000000E+04 -0.1154000000E-02 0.2280000000E+03 -0.5725000000E-02 0.6471000000E+02 -0.2331200000E-01 0.2106000000E+02 -0.6395500000E-01 0.7495000000E+01 -0.1499810000E+00 0.2797000000E+01 -0.1272620000E+00 0.5215000000E+00 0.5445290000E+00 0.1596000000E+00 0.5804960000E+00 s 1 1.00 0.1596000000E+00 0.1000000000E+01 p 4 1.00 0.9439000000E+01 0.3810900000E-01 0.2002000000E+01 0.2094800000E+00 0.5456000000E+00 0.5085570000E+00 0.1517000000E+00 0.4688420000E+00 p 1 1.00 0.1517000000E+00 0.1000000000E+01 d 1 1.00 0.5500000000E+00 0.1000000000E+01 4 0 s 9 1.00 0.9046000000E+04 0.7000000000E-03 0.1357000000E+04 0.5389000000E-02 0.3093000000E+03 0.2740600000E-01 0.8773000000E+02 0.1032070000E+00 0.2856000000E+02 0.2787230000E+00 0.1021000000E+02 0.4485400000E+00 0.3838000000E+01 0.2782380000E+00 0.7466000000E+00 0.1544000000E-01 0.2248000000E+00 -0.2864000000E-02 s 9 1.00 0.9046000000E+04 -0.1530000000E-03 0.1357000000E+04 -0.1208000000E-02 0.3093000000E+03 -0.5992000000E-02 0.8773000000E+02 -0.2454400000E-01 0.2856000000E+02 -0.6745900000E-01 0.1021000000E+02 -0.1580780000E+00 0.3838000000E+01 -0.1218310000E+00 0.7466000000E+00 0.5490030000E+00 0.2248000000E+00 0.5788150000E+00 s 1 1.00 0.2248000000E+00 0.1000000000E+01 p 4 1.00 0.1355000000E+02 0.3991900000E-01 0.2917000000E+01 0.2171690000E+00 0.7973000000E+00 0.5103190000E+00 0.2185000000E+00 0.4622140000E+00 p 1 1.00 0.2185000000E+00 0.1000000000E+01 d 1 1.00 0.8170000000E+00 0.1000000000E+01 5 0 s 9 1.00 0.9046000000E+04 0.7000000000E-03 0.1357000000E+04 0.5389000000E-02 0.3093000000E+03 0.2740600000E-01 0.8773000000E+02 0.1032070000E+00 0.2856000000E+02 0.2787230000E+00 0.1021000000E+02 0.4485400000E+00 0.3838000000E+01 0.2782380000E+00 0.7466000000E+00 0.1544000000E-01 0.2248000000E+00 -0.2864000000E-02 s 9 1.00 0.9046000000E+04 -0.1530000000E-03 0.1357000000E+04 -0.1208000000E-02 0.3093000000E+03 -0.5992000000E-02 0.8773000000E+02 -0.2454400000E-01 0.2856000000E+02 -0.6745900000E-01 0.1021000000E+02 -0.1580780000E+00 0.3838000000E+01 -0.1218310000E+00 0.7466000000E+00 0.5490030000E+00 0.2248000000E+00 0.5788150000E+00 s 1 1.00 0.2248000000E+00 0.1000000000E+01 p 4 1.00 0.1355000000E+02 0.3991900000E-01 0.2917000000E+01 0.2171690000E+00 0.7973000000E+00 0.5103190000E+00 0.2185000000E+00 0.4622140000E+00 p 1 1.00 0.2185000000E+00 0.1000000000E+01 d 1 1.00 0.8170000000E+00 0.1000000000E+01 6 0 s 4 1.00 0.1301000000E+02 0.1968500000E-01 0.1962000000E+01 0.1379770000E+00 0.4446000000E+00 0.4781480000E+00 0.1220000000E+00 0.5012400000E+00 s 1 1.00 0.1220000000E+00 0.1000000000E+01 p 1 1.00 0.7270000000E+00 0.1000000000E+01 7 0 s 4 1.00 0.1301000000E+02 0.1968500000E-01 0.1962000000E+01 0.1379770000E+00 0.4446000000E+00 0.4781480000E+00 0.1220000000E+00 0.5012400000E+00 s 1 1.00 0.1220000000E+00 0.1000000000E+01 p 1 1.00 0.7270000000E+00 0.1000000000E+01 8 0 s 4 1.00 0.1301000000E+02 0.1968500000E-01 0.1962000000E+01 0.1379770000E+00 0.4446000000E+00 0.4781480000E+00 0.1220000000E+00 0.5012400000E+00 s 1 1.00 0.1220000000E+00 0.1000000000E+01 p 1 1.00 0.7270000000E+00 0.1000000000E+01 9 0 s 4 1.00 0.1301000000E+02 0.1968500000E-01 0.1962000000E+01 0.1379770000E+00 0.4446000000E+00 0.4781480000E+00 0.1220000000E+00 0.5012400000E+00 s 1 1.00 0.1220000000E+00 0.1000000000E+01 p 1 1.00 0.7270000000E+00 0.1000000000E+01 [MO] Sym= 1 Ene= -15.7040120116445 Spin= Alpha Occup= 2.00000000000001 1 -0.1547912947E-03 2 0.8028079234E-03 3 -0.3312147000E-02 4 -0.1662109775E-02 5 -0.8748351826E-03 6 -0.6507162504E-10 7 0.1555676028E-02 8 0.2059727603E-02 9 -0.3823378599E-09 10 0.4436920660E-03 11 -0.2998149836E-03 12 -0.1438771224E-03 13 0.3829677788E-03 14 0.4228040565E-10 15 -0.1168481395E-10 16 -0.8475435510E-04 17 0.7972533442E-03 18 -0.4720115743E-02 19 -0.3290225083E-03 20 0.1788409858E-02 21 -0.2456627196E-09 22 -0.1454028002E-02 23 -0.3134911022E-02 24 0.6701075716E-10 25 -0.3937685109E-03 26 0.4998667242E-03 27 -0.1061177469E-03 28 -0.1913862223E-03 29 -0.7389345889E-10 30 0.1596913232E-09 31 -0.2286863164E-04 32 -0.5461864973E-03 33 0.2696649659E-02 34 -0.1566495230E-04 35 -0.3314305810E-03 36 -0.1601717086E-09 37 -0.7840664990E-03 38 0.1767979626E-02 39 0.2363134081E-09 40 0.8984793153E-04 41 -0.1345204521E-03 42 0.4465998621E-04 43 0.4577679877E-04 44 -0.1935101808E-09 45 -0.3388412155E-10 46 -0.1001544806E+01 47 0.1063629463E-02 48 0.9288846443E-02 49 -0.5063318094E-03 50 0.3391460947E-03 51 -0.1083002553E-09 52 0.2656243944E-02 53 -0.1712692970E-02 54 0.3331875275E-09 55 -0.2499468972E-03 56 0.1207974056E-03 57 0.1291435896E-03 58 0.2867605910E-03 59 0.9347607755E-10 60 0.1280885759E-09 61 0.9078222253E-04 62 0.2866839257E-03 63 -0.1570749355E-03 64 0.5188338092E-03 65 0.1994629216E-03 66 -0.7473048773E-10 67 -0.5760451140E-04 68 0.3289383685E-03 69 0.1145671269E-09 70 0.1546047305E-04 71 -0.9594391517E-04 72 0.8048016622E-04 73 -0.7479463086E-04 74 -0.9736384833E-11 75 -0.1651525806E-09 76 -0.5251613183E-03 77 -0.4149345237E-03 78 -0.1881573278E-03 79 -0.6232833854E-04 80 0.1272134695E-09 81 0.5016529910E-02 82 -0.2238201589E-02 83 0.9945571867E-03 84 -0.5036720186E-03 85 0.1164438600E-09 86 -0.5252731533E-03 87 -0.6783425003E-03 88 -0.6055988010E-04 89 0.2129036315E-03 90 0.9715240957E-10 91 0.5399689448E-03 92 0.3462351667E-03 93 -0.3983555816E-04 94 -0.2037181648E-05 95 0.8550092530E-10 Sym= 1 Ene= -15.6325518597185 Spin= Alpha Occup= 2.00000000000001 1 -0.2082966284E-03 2 0.3077562691E-03 3 -0.2802354164E-02 4 0.1726530639E-02 5 -0.6821436406E-03 6 -0.1286582937E-09 7 -0.6755698759E-03 8 0.1741807938E-02 9 0.2129549534E-10 10 0.4066317928E-03 11 -0.7643245543E-04 12 -0.3301993501E-03 13 -0.9261167774E-03 14 0.4876128762E-10 15 0.1211603325E-09 16 0.3213609995E-04 17 0.3256956275E-04 18 0.2868291378E-02 19 0.2787314485E-03 20 -0.1283458961E-03 21 -0.4424126536E-10 22 0.1414749647E-02 23 0.1162225608E-02 24 0.1304601171E-09 25 0.8817752768E-04 26 -0.1329147399E-03 27 0.4472042154E-04 28 -0.3752156259E-04 29 -0.8882664161E-10 30 -0.9388763737E-10 31 -0.1771688475E-03 32 0.5112004381E-03 33 -0.4584261246E-02 34 0.1159661455E-02 35 0.1193466356E-02 36 0.1112833901E-10 37 0.5090343302E-03 38 -0.2593537528E-02 39 -0.1708737796E-09 40 -0.1908924306E-03 41 0.3539685535E-03 42 -0.1630982924E-03 43 0.8602245634E-03 44 0.2224832853E-10 45 -0.2854055868E-09 46 0.1170569432E-03 47 0.4712953319E-03 48 -0.3835233701E-05 49 0.1977574835E-03 50 0.1565753148E-03 51 0.1842830276E-09 52 0.2891366895E-03 53 0.4287807612E-03 54 -0.1750992250E-09 55 -0.5934220925E-05 56 -0.9176575634E-04 57 0.9770272788E-04 58 0.8105460251E-04 59 -0.1650175627E-10 60 0.7237376589E-10 61 -0.1001390033E+01 62 0.7371803426E-02 63 0.9462717779E-02 64 0.8714443027E-02 65 0.9694981354E-03 66 0.2629558147E-10 67 -0.3360825394E-02 68 -0.6726824054E-03 69 0.1938010313E-09 70 -0.3325410719E-03 71 0.5352213911E-04 72 0.2790097232E-03 73 0.7004923523E-04 74 -0.1703097832E-09 75 -0.3024723072E-10 76 -0.7053245934E-03 77 -0.1543076517E-03 78 0.2481297168E-03 79 -0.1048009001E-03 80 -0.1009606203E-09 81 -0.7909003771E-05 82 -0.1737733985E-03 83 0.2248450456E-04 84 -0.2546039896E-04 85 -0.1021700956E-09 86 0.1325356758E-03 87 0.3341644257E-03 88 0.4162248763E-04 89 -0.5923597074E-04 90 -0.3981344125E-10 91 -0.5132832829E-03 92 -0.4921635586E-03 93 0.1130839122E-03 94 0.2604355740E-03 95 -0.9839948120E-10 Sym= 1 Ene= -11.3772058866201 Spin= Alpha Occup= 2.00000000000001 1 0.1001507231E+01 2 0.5902390342E-03 3 -0.1419646861E-02 4 -0.1474273474E-02 5 -0.2581684924E-02 6 -0.3634632288E-09 7 0.2424867224E-03 8 -0.1307028517E-02 9 0.2431124619E-09 10 0.1759066825E-03 11 0.7203220201E-03 12 -0.8962287443E-03 13 0.1381788046E-03 14 0.1424723849E-09 15 -0.9909744844E-10 16 0.5572772131E-04 17 0.5692601800E-03 18 0.8269380107E-03 19 -0.6420087529E-04 20 0.6045112553E-03 21 -0.1841112318E-09 22 0.1730928729E-02 23 0.5514923931E-03 24 0.9469108842E-10 25 -0.9671637103E-04 26 0.2001248660E-03 27 -0.1034149831E-03 28 0.1682317254E-03 29 -0.7223733650E-10 30 0.1993469321E-09 31 0.9035703436E-04 32 0.7400899900E-03 33 -0.9806332885E-03 34 0.3678156443E-03 35 0.6756334914E-03 36 0.1832288473E-09 37 -0.1292379755E-03 38 0.6888569183E-03 39 -0.1289314649E-09 40 0.1399064281E-04 41 0.8784241846E-05 42 -0.2276215470E-04 43 0.2116273210E-03 44 -0.2008890697E-09 45 -0.1764066781E-09 46 0.2653078125E-03 47 0.7181586539E-03 48 -0.3788492066E-02 49 -0.1487988999E-02 50 -0.9274210347E-03 51 0.3032604101E-09 52 -0.2730653170E-02 53 0.4280189793E-03 54 -0.2939470476E-09 55 -0.5130859326E-03 56 -0.1147258724E-04 57 0.5245095916E-03 58 -0.1674737696E-03 59 0.1662379138E-09 60 -0.9788046237E-10 61 0.1629306513E-03 62 0.1041659648E-02 63 -0.2733117448E-02 64 0.2119082548E-02 65 -0.1621826531E-02 66 0.7020120451E-10 67 0.1575050417E-02 68 0.3668389816E-03 69 0.7494875570E-10 70 -0.3257197997E-03 71 -0.3383123562E-04 72 0.3595543961E-03 73 0.1348677459E-03 74 0.1109195723E-09 75 -0.1385671708E-09 76 -0.7029471369E-02 77 0.4560796488E-02 78 0.1701680346E-03 79 0.9850137305E-03 80 0.1206991164E-09 81 0.3289601797E-03 82 -0.4219178362E-03 83 0.3379850816E-03 84 0.8192789387E-04 85 0.1874253788E-09 86 0.7984802707E-04 87 0.6059569468E-03 88 -0.9146736097E-04 89 -0.8864100542E-05 90 0.1045490817E-09 91 0.2084819870E-03 92 0.1998161327E-03 93 -0.4171009908E-04 94 0.3642532282E-04 95 0.1569678511E-09 Sym= 1 Ene= -11.3306147709529 Spin= Alpha Occup= 2.00000000000001 1 0.1548869139E-04 2 0.5284436845E-03 3 0.2475839729E-02 4 -0.3361759963E-03 5 -0.4079450846E-03 6 -0.1045512284E-10 7 0.3127679521E-03 8 -0.3026627415E-02 9 -0.7746835785E-10 10 0.7494053479E-04 11 0.1391689844E-03 12 -0.2141095331E-03 13 0.1476885785E-03 14 -0.1611496696E-09 15 -0.5460314708E-10 16 0.1001710263E+01 17 0.1050483824E-02 18 -0.4420469221E-02 19 -0.1389445166E-03 20 0.3164904270E-02 21 -0.1019470724E-09 22 -0.2460685483E-03 23 0.5482277844E-03 24 0.3833828910E-09 25 0.3681577600E-03 26 0.4613083524E-03 27 -0.8294675382E-03 28 0.7106123120E-03 29 -0.9667997937E-10 30 -0.2297881037E-09 31 -0.1918835167E-03 32 -0.2291739172E-02 33 0.1175733187E-02 34 0.3064095457E-02 35 -0.1581615237E-03 36 -0.1019108324E-09 37 -0.1741068993E-02 38 -0.1293256677E-02 39 -0.2766733692E-09 40 -0.3342548070E-03 41 -0.1173257844E-03 42 0.4516123131E-03 43 0.4707445805E-03 44 -0.2457346241E-09 45 -0.3770618425E-10 46 0.3477988892E-03 47 0.1058842842E-02 48 -0.4431539743E-02 49 -0.1271203271E-03 50 0.1494436125E-02 51 -0.8107980480E-10 52 -0.1686477684E-02 53 0.1934303520E-02 54 0.4175943019E-10 55 -0.2771124123E-04 56 -0.5375914727E-03 57 0.5653238544E-03 58 0.2833410315E-03 59 0.1477118172E-09 60 -0.2255509421E-09 61 0.1181412086E-03 62 0.4687469881E-03 63 -0.1769520913E-02 64 -0.4499742808E-03 65 -0.1942616594E-03 66 0.2325268761E-09 67 0.5794645072E-03 68 -0.8254552158E-03 69 -0.1203119695E-09 70 0.6618921092E-04 71 -0.2827823442E-04 72 -0.3791254894E-04 73 0.9958223930E-04 74 0.5995575842E-10 75 -0.1136666037E-09 76 0.2557073784E-03 77 0.9221733894E-03 78 -0.4600096490E-04 79 0.1063750316E-03 80 -0.1731287716E-09 81 0.5244924214E-03 82 -0.5753476193E-03 83 0.1828189762E-03 84 -0.2820367727E-03 85 0.1582881631E-09 86 -0.7100300899E-02 87 0.4286969974E-02 88 -0.7513160279E-03 89 -0.8589312014E-03 90 -0.1685979056E-09 91 0.1255405420E-02 92 -0.4644107479E-03 93 -0.7169307641E-04 94 0.3106693423E-03 95 0.1044202000E-09 Sym= 1 Ene= -11.3163051813809 Spin= Alpha Occup= 2.00000000000001 1 0.1601959447E-06 2 0.4833385924E-03 3 0.2725428157E-02 4 0.2610392073E-03 5 -0.4531511712E-03 6 -0.2667017915E-09 7 -0.8538030803E-03 8 -0.2902870471E-02 9 0.3549652753E-09 10 0.2217611724E-03 11 -0.7152439239E-04 12 -0.1502366866E-03 13 -0.3135887417E-04 14 0.7104442615E-10 15 0.1061054128E-09 16 -0.2295957945E-03 17 -0.2084102931E-02 18 0.2869619362E-02 19 -0.2752982154E-02 20 0.5630463172E-03 21 0.2673673500E-10 22 0.1991646143E-02 23 -0.9785436369E-03 24 -0.2121292343E-09 25 -0.6293920704E-03 26 0.1566938839E-03 27 0.4727021299E-03 28 -0.2294856716E-03 29 -0.6184961341E-10 30 0.1226237472E-09 31 0.1001745916E+01 32 0.1233161920E-02 33 -0.6575778567E-02 34 -0.3331173555E-03 35 0.1995494940E-02 36 0.1195672616E-09 37 0.1686960896E-02 38 -0.2272667166E-03 39 0.1759621745E-09 40 0.2030483006E-03 41 0.4990142096E-03 42 -0.7020397646E-03 43 -0.4446960303E-03 44 0.1314900361E-09 45 0.1507789343E-09 46 0.1806066660E-03 47 0.9076118797E-03 48 -0.2105881294E-02 49 0.2777198690E-03 50 -0.2223638630E-03 51 0.1714113351E-09 52 -0.1470097945E-02 53 -0.1170081091E-03 54 -0.1751591050E-09 55 0.1434694130E-04 56 -0.1536480143E-04 57 0.1024030012E-05 58 -0.1240189069E-03 59 -0.1083097745E-09 60 -0.7094120910E-10 61 0.3030424042E-03 62 0.1259759764E-02 63 -0.3353033109E-02 64 0.1296811520E-02 65 0.1926018713E-02 66 0.5305846114E-10 67 0.1446378627E-02 68 0.4248456380E-03 69 -0.1599701970E-09 70 -0.1390506389E-03 71 -0.3151722516E-03 72 0.4542213542E-03 73 -0.3419654484E-03 74 0.6481373583E-10 75 0.9418227015E-10 76 0.3188095661E-03 77 0.8456081569E-03 78 0.2044587508E-04 79 0.7011645885E-05 80 -0.1311436683E-09 81 -0.6243216038E-03 82 -0.9487442185E-05 83 -0.1900216726E-04 84 0.6281042571E-04 85 -0.1449067896E-09 86 0.1118328330E-02 87 -0.2309575046E-03 88 0.1113444736E-03 89 0.2485049867E-03 90 -0.1763715739E-09 91 -0.6767785133E-02 92 0.3735057613E-02 93 0.3825682718E-03 94 -0.9509384080E-03 95 0.2304391491E-09 Sym= 1 Ene= -0.952294138752636 Spin= Alpha Occup= 1.98826790109241 1 -0.2245463615E-02 2 -0.4177191224E-01 3 -0.5345129805E-02 4 0.6295804253E-01 5 0.1588177175E-01 6 -0.1664607959E-08 7 -0.1172363908E-01 8 0.2819134420E-01 9 0.4356432369E-08 10 -0.1169006523E-01 11 0.1266827377E-01 12 -0.9782075301E-03 13 0.1675425374E-01 14 0.4514571122E-09 15 0.7309957219E-10 16 -0.5777998855E-02 17 0.3434471081E+00 18 -0.1445419030E+00 19 -0.1188507728E+00 20 0.5131117386E+00 21 -0.3551776515E-09 22 0.3161306685E-01 23 -0.1535156951E+00 24 -0.2194423922E-08 25 -0.2542735844E-01 26 0.4062797238E-01 27 -0.1520041237E-01 28 -0.1479012896E-01 29 -0.6469100886E-09 30 0.8507458204E-10 31 0.5300294148E-03 32 -0.3746483371E-01 33 0.4131542165E-02 34 0.5510422348E-01 35 0.6015831550E-02 36 0.7070417643E-09 37 -0.1085388341E-02 38 -0.6393584575E-02 39 0.2503916234E-08 40 0.2369564009E-02 41 -0.1554705216E-02 42 -0.8148747770E-03 43 -0.1475619538E-01 44 0.6571663820E-10 45 0.1626579282E-08 46 -0.1258593788E-02 47 0.4399241758E+00 48 -0.4680762741E-01 49 0.4693998906E-01 50 -0.6060829854E+00 51 -0.7430302384E-09 52 -0.1106018159E-01 53 0.6802213359E-01 54 -0.1194790121E-08 55 -0.1167890465E-01 56 0.1826165086E-01 57 -0.6582713814E-02 58 -0.2844179377E-02 59 0.1756903648E-08 60 0.6132032133E-09 61 0.8119158306E-03 62 -0.2488304273E-01 63 0.1374214131E-02 64 0.2743078337E-01 65 0.5022072690E-02 66 -0.1442809830E-08 67 -0.3023696768E-02 68 0.3993218632E-02 69 -0.1283629150E-08 70 -0.3582128975E-02 71 0.4181982383E-02 72 -0.5998586489E-03 73 -0.1694371969E-02 74 0.3164120154E-09 75 -0.4579430519E-09 76 0.3780699370E-01 77 -0.6434793718E-02 78 -0.1433964054E-02 79 0.1310858012E-02 80 -0.1339874216E-08 81 -0.1330730621E+00 82 0.2759821142E-01 83 -0.5003134318E-02 84 -0.8842802340E-02 85 0.4311353201E-09 86 -0.8110567587E-01 87 0.6670282268E-02 88 -0.3699567426E-02 89 0.7963288607E-02 90 0.6225832787E-09 91 0.3518492025E-01 92 0.2326500491E-02 93 0.2070596849E-03 94 -0.1428872731E-02 95 0.6092465956E-09 Sym= 1 Ene= -0.744275205420137 Spin= Alpha Occup= 1.98538742644289 1 -0.1171666347E-01 2 -0.5844400857E-01 3 0.4419439212E-01 4 0.2148288214E-01 5 0.3765557080E-01 6 -0.1808920408E-09 7 0.2335771631E-01 8 -0.5212310480E-01 9 0.2540343703E-08 10 0.2548937619E-01 11 -0.2152407750E-01 12 -0.3965297672E-02 13 -0.1042215492E-01 14 0.1007865362E-08 15 0.1435809623E-09 16 0.1852380379E-02 17 0.3449817276E-01 18 0.4391127794E-01 19 0.2427710171E-01 20 -0.3632550254E-02 21 -0.2131102280E-08 22 0.1729576137E-01 23 -0.2944644393E-01 24 0.1374952176E-08 25 -0.2649561219E-02 26 0.7865787890E-03 27 0.1863006656E-02 28 -0.2586446419E-02 29 -0.1619327647E-08 30 -0.6094203696E-09 31 -0.7127778654E-02 32 -0.3032532503E-01 33 -0.1956294810E-02 34 0.1388780938E-01 35 -0.1307908733E-01 36 0.1910713939E-09 37 0.1833496655E-01 38 0.4195475672E-01 39 0.3364667856E-08 40 0.1046734189E-01 41 -0.8275929264E-02 42 -0.2191384027E-02 43 0.2423996582E-01 44 -0.7594676768E-09 45 -0.7663848334E-09 46 0.1200474146E-02 47 0.4142761332E-01 48 0.3886956509E-01 49 0.2755381201E-01 50 0.9782505264E-02 51 0.2585833488E-08 52 -0.4333273314E-02 53 0.1690468784E-01 54 -0.3161935611E-08 55 -0.3048205775E-02 56 0.1495946610E-02 57 0.1552241727E-02 58 0.4617832097E-04 59 0.4257367436E-09 60 0.1317760599E-09 61 0.1061265210E-01 62 0.7654657616E+00 63 -0.3716178407E-01 64 0.5393534608E+00 65 0.7675862118E-01 66 -0.7401171461E-10 67 0.6978414089E-01 68 0.1358764415E-01 69 -0.2028163354E-08 70 -0.1826936782E-01 71 0.8777701030E-02 72 0.9491605970E-02 73 -0.3930054372E-02 74 0.1159558695E-09 75 -0.3568813419E-10 76 -0.4379791540E-01 77 0.2364640654E-01 78 -0.1401484331E-02 79 -0.2548845575E-02 80 -0.4591562945E-09 81 -0.3408462525E-01 82 -0.4178391401E-03 83 0.1291330443E-02 84 0.2007392971E-02 85 -0.1213821792E-09 86 -0.2060085218E-01 87 -0.1234298815E-01 88 0.7263655239E-03 89 -0.1646570102E-04 90 -0.3900496862E-09 91 -0.4474194803E-01 92 0.1717684062E-01 93 -0.3087138741E-02 94 0.1494058318E-02 95 0.1007075286E-08 Sym= 1 Ene= -0.895042638774740 Spin= Alpha Occup= 1.98358912194731 1 0.2221693473E-02 2 0.5056599628E-01 3 0.3103512438E-01 4 -0.9868028311E-02 5 -0.3366523380E-01 6 -0.4642698386E-09 7 -0.1313970640E-01 8 -0.1970399077E-01 9 -0.3422800788E-09 10 0.1188902038E-02 11 -0.3692989355E-02 12 0.2504088236E-02 13 -0.1470427249E-03 14 0.1291504838E-09 15 -0.7506663314E-10 16 0.4724529893E-02 17 -0.4888329234E+00 18 0.1110580621E+00 19 -0.5458145437E+00 20 0.9456687768E-01 21 -0.1338687446E-08 22 0.1235173665E+00 23 -0.1170801036E-01 24 -0.2605555399E-09 25 -0.2459794163E-01 26 0.1864016659E-01 27 0.5957884683E-02 28 0.4441745966E-02 29 -0.3576708027E-09 30 -0.4129519970E-09 31 0.7163940224E-02 32 -0.4633547175E+00 33 0.1424022182E+00 34 0.5355824155E+00 35 -0.5124084428E-01 36 0.1607092045E-08 37 -0.1520257488E+00 38 -0.3052825772E-02 39 -0.3355468854E-09 40 -0.2518754362E-01 41 0.1803552252E-01 42 0.7152174246E-02 43 0.5980785912E-02 44 -0.8730394068E-09 45 0.1615194164E-09 46 0.3863877235E-02 47 0.3291160610E-01 48 -0.1044243047E-01 49 0.2567674041E-02 50 -0.2791832108E-01 51 0.1114712723E-09 52 -0.8200985149E-02 53 -0.1576896234E-01 54 0.1830059202E-09 55 0.1431362993E-03 56 -0.3986193749E-02 57 0.3843146187E-02 58 0.1390211634E-01 59 0.3756018288E-09 60 -0.7711516763E-10 61 0.3637301871E-02 62 0.2646533356E-01 63 -0.1281827764E-01 64 -0.2460826542E-01 65 -0.2549202462E-01 66 -0.7430521363E-09 67 -0.1667642480E-01 68 -0.1187535515E-01 69 0.1364205876E-08 70 -0.3841422314E-02 71 0.2394745303E-02 72 0.1446638071E-02 73 -0.9040114787E-02 74 0.6324100204E-10 75 0.9792605546E-09 76 0.3795910123E-03 77 0.5581409026E-02 78 0.2006775811E-03 79 -0.9651964748E-03 80 -0.6513285591E-09 81 -0.4510923402E-01 82 -0.5861256540E-02 83 0.1604471053E-02 84 -0.1444393536E-02 85 0.1145718399E-08 86 0.9274454832E-01 87 -0.2411067811E-02 88 -0.6664041016E-02 89 0.3215810410E-02 90 0.1456306406E-09 91 0.9118515784E-01 92 -0.4894904109E-02 93 0.7626712921E-02 94 0.6051354186E-03 95 0.1080734489E-08 Sym= 1 Ene= -0.805130026762904 Spin= Alpha Occup= 1.97840584194556 1 -0.5548469962E-02 2 0.5132372137E+00 3 -0.1208418469E+00 4 0.5475018999E-01 5 0.5031959117E+00 6 -0.1921765832E-08 7 -0.3663713850E-01 8 -0.1310787050E+00 9 0.5093870690E-08 10 -0.1253364046E-01 11 0.1473859883E-01 12 -0.2204961459E-02 13 0.5290164617E-03 14 0.2529753492E-10 15 0.3955043884E-09 16 0.1668930484E-02 17 0.2238271535E-01 18 0.1670998012E-01 19 -0.2583625555E-02 20 0.1974803837E-01 21 0.1138987375E-08 22 -0.9357832461E-02 23 0.5279490185E-02 24 -0.5517993096E-09 25 0.1228975862E-02 26 -0.2935158530E-02 27 0.1706157540E-02 28 -0.3058061143E-02 29 -0.1120902549E-08 30 -0.1995545064E-09 31 0.1629271002E-02 32 0.2517250525E-01 33 0.8398935249E-02 34 0.6420190771E-02 35 0.1665333757E-01 36 -0.6086895952E-09 37 0.1008987384E-01 38 -0.9049609631E-02 39 0.5542645077E-09 40 0.2224297878E-02 41 -0.5149852577E-02 42 0.2925596891E-02 43 0.1035603961E-02 44 -0.7206503638E-09 45 0.6718806493E-10 46 -0.2095522428E-02 47 -0.3763347022E-01 48 -0.3056522892E-01 49 -0.2111709967E-01 50 -0.7870700837E-02 51 0.8236733172E-09 52 -0.2038818999E-02 53 -0.3251838692E-02 54 -0.3114050952E-08 55 -0.3598274747E-02 56 0.6386893737E-02 57 -0.2788634888E-02 58 0.8999565690E-02 59 -0.5753785974E-10 60 0.1015858411E-09 61 -0.2923976489E-02 62 -0.4233375982E-01 63 0.3612607704E-02 64 0.7598391040E-02 65 -0.7507621953E-02 66 -0.2471567940E-09 67 -0.1870588495E-01 68 -0.2846022671E-02 69 -0.5767360803E-09 70 -0.5767079739E-02 71 0.8454081509E-02 72 -0.2687006460E-02 73 -0.3282264387E-02 74 0.7214995281E-10 75 -0.1756804812E-09 76 0.7309113587E+00 77 -0.2405062552E+00 78 -0.5609033555E-02 79 -0.3436279249E-01 80 -0.1540586676E-08 81 -0.2234895763E-01 82 0.2540476059E-02 83 -0.1341002521E-02 84 -0.2337369995E-02 85 -0.3800747908E-10 86 -0.8874786730E-02 87 -0.4424358560E-02 88 0.5333914645E-03 89 0.2517609345E-03 90 -0.4788773118E-09 91 -0.6866071480E-02 92 -0.9640515699E-02 93 -0.6903691473E-03 94 0.9328598196E-03 95 -0.3064421920E-09 Sym= 1 Ene= -0.762081423617044 Spin= Alpha Occup= 1.97797637374336 1 -0.2696554357E-02 2 -0.2768103768E-01 3 -0.7032106129E-02 4 -0.1099495790E-01 5 0.1325235216E-01 6 -0.1167460903E-08 7 -0.9573327324E-02 8 -0.9659862193E-02 9 -0.4757304304E-09 10 -0.3435373121E-02 11 0.6995869292E-02 12 -0.3560498290E-02 13 -0.1584061579E-02 14 0.2695823780E-09 15 -0.7184268007E-09 16 0.3351791498E-02 17 0.5521261990E-01 18 0.3156663151E-01 19 0.3815476057E-01 20 0.8180634310E-02 21 0.1178421501E-08 22 0.1098707829E-01 23 -0.1040100132E-01 24 -0.1573998195E-08 25 -0.5779460285E-03 26 -0.1437894619E-02 27 0.2015783798E-02 28 0.1497564623E-01 29 0.4737469597E-09 30 0.4388280165E-09 31 0.8353364511E-02 32 -0.4832971769E+00 33 0.9158224656E-01 34 -0.2772644754E+00 35 0.4316730981E+00 36 -0.1104788806E-08 37 0.1051966949E+00 38 -0.1079383043E+00 39 0.3044592055E-08 40 0.3509038635E-02 41 -0.6448283228E-02 42 0.2939175854E-02 43 0.1345719325E-01 44 0.4973303993E-09 45 -0.9609165208E-10 46 -0.7132729655E-03 47 -0.2104601714E-01 48 -0.2060519370E-01 49 -0.4218113329E-02 50 0.1486899730E-01 51 0.1803534686E-09 52 0.3505988681E-03 53 0.4752925835E-02 54 0.3467205910E-09 55 -0.1195115850E-03 56 0.1786970582E-02 57 -0.1667482729E-02 58 -0.2022580260E-02 59 -0.2275957962E-09 60 0.1013041702E-09 61 0.1690924657E-02 62 0.3722177667E-01 63 0.1143233691E-01 64 -0.8987442006E-03 65 -0.1038181986E-01 66 0.1731220348E-08 67 0.1291261127E-01 68 0.6547686989E-02 69 -0.2668922783E-08 70 0.6233905526E-02 71 -0.9391965602E-02 72 0.3158055501E-02 73 0.2607321167E-02 74 -0.2151627518E-09 75 -0.2328896999E-09 76 0.7914869317E-02 77 0.1087674147E-01 78 0.2730837993E-03 79 0.1684219778E-02 80 0.1429667505E-08 81 0.1510778816E-01 82 0.6049812015E-04 83 0.2583815817E-03 84 0.1011805870E-02 85 -0.6366457199E-09 86 0.1193901097E-01 87 0.7474136914E-03 88 0.1156740007E-03 89 -0.1278782018E-02 90 -0.1317488841E-08 91 -0.7344461860E+00 92 0.2267843171E+00 93 0.1759979158E-01 94 -0.2912063762E-01 95 -0.1014799446E-09 Sym= 1 Ene= -0.992811476941539 Spin= Alpha Occup= 1.97746947029596 1 0.5342460483E-02 2 -0.3704845238E+00 3 0.1380903223E+00 4 0.4773782082E+00 5 0.2132104747E+00 6 0.2318239526E-08 7 -0.1651023557E+00 8 -0.5096581031E-01 9 -0.2880741103E-09 10 -0.3161968431E-01 11 0.1676355359E-01 12 0.1485612916E-01 13 -0.2998199386E-01 14 -0.8266958188E-09 15 -0.1148650321E-08 16 0.2736394345E-02 17 0.3543906206E-01 18 -0.3256027189E-02 19 -0.1383473876E-01 20 0.4507217266E-01 21 -0.9055445046E-09 22 0.2019344460E-01 23 0.1604736892E-01 24 0.1020766508E-08 25 0.7728568967E-02 26 -0.1034376520E-01 27 0.2615217293E-02 28 -0.1714312966E-01 29 -0.1184575796E-08 30 -0.4525706214E-09 31 0.6270058991E-03 32 0.4415581747E-01 33 -0.3999869496E-02 34 -0.1274880431E-01 35 0.2875004171E-01 36 0.9748662509E-09 37 -0.6283773461E-02 38 -0.7141921724E-02 39 0.1954835636E-09 40 -0.2124655734E-02 41 0.5758673656E-03 42 0.1548853227E-02 43 -0.3674932529E-02 44 -0.7141311206E-09 45 0.9579578255E-09 46 0.2011974737E-02 47 -0.4650591961E+00 48 0.5014811326E-01 49 -0.5243802303E+00 50 -0.2786832207E+00 51 0.3127862086E-10 52 0.6706277057E-01 53 0.2337544034E-01 54 -0.1320144322E-08 55 -0.1165100591E-01 56 0.4826060828E-02 57 0.6824904213E-02 58 -0.1557732474E-01 59 -0.1352247151E-10 60 -0.6192374319E-09 61 0.3021032611E-03 62 0.2423447854E-01 63 0.4612765846E-03 64 -0.4917366459E-01 65 0.2617923106E-01 66 0.1222399552E-08 67 -0.2115649154E-01 68 -0.4578879704E-02 69 -0.2564963314E-08 70 -0.6454761189E-02 71 0.7696494109E-02 72 -0.1241745852E-02 73 0.2717494720E-02 74 0.2429664038E-09 75 0.9082300233E-09 76 0.9586881607E-01 77 -0.1444244505E-01 78 0.7397643446E-02 79 0.1355653288E-02 80 0.5162821424E-10 81 0.1277321214E+00 82 -0.2552106279E-01 83 -0.5331282670E-02 84 -0.8057063429E-02 85 -0.7549452915E-09 86 -0.3195666773E-01 87 0.5978386687E-02 88 0.2131079029E-02 89 -0.5075166110E-03 90 -0.3444923501E-09 91 -0.3653580707E-02 92 0.1606948496E-02 93 0.9552808233E-04 94 -0.3894883682E-03 95 -0.6139810298E-09 Sym= 1 Ene= -0.791146934059288 Spin= Alpha Occup= 1.97247717522851 1 0.2321983861E-02 2 0.2554977589E-01 3 0.1090188996E-01 4 -0.1888951747E-01 5 -0.1119723437E-01 6 -0.9474501553E-09 7 -0.1279422879E-01 8 0.9628882057E-02 9 0.2715430260E-08 10 0.2447535774E-02 11 -0.4523050253E-02 12 0.2075515581E-02 13 -0.3889619173E-02 14 -0.1711988580E-09 15 0.1369509966E-09 16 -0.8468649846E-02 17 0.4918150879E+00 18 -0.9774274491E-01 19 -0.3882269937E+00 20 -0.3232242300E+00 21 -0.4918864492E-08 22 0.1085346733E+00 23 0.9198119369E-01 24 0.5987121441E-08 25 0.7821413989E-02 26 -0.3771483988E-02 27 -0.4049965257E-02 28 0.1265882916E-01 29 0.5694821719E-09 30 0.1926538763E-08 31 -0.3790763411E-02 32 -0.5211994262E-01 33 -0.5206449010E-03 34 0.2992577797E-01 35 -0.1506055027E-01 36 -0.1239937058E-08 37 -0.1217873682E-02 38 0.3134036025E-02 39 0.5361452288E-09 40 0.6471206156E-02 41 -0.4727356560E-02 42 -0.1743798705E-02 43 0.1194168689E-01 44 0.7712921028E-09 45 -0.6335350937E-09 46 -0.2086388848E-02 47 -0.3351397509E-01 48 -0.2231384501E-01 49 -0.3250375326E-02 50 0.2006740950E-01 51 0.1429544871E-08 52 -0.5611488967E-02 53 -0.3481905678E-02 54 -0.3964826743E-08 55 -0.4136679499E-02 56 0.6752457379E-02 57 -0.2615740058E-02 58 0.9367755060E-02 59 0.2607428797E-09 60 0.6586381570E-09 61 0.1765750736E-03 62 0.1374796730E-01 63 0.1614297138E-01 64 -0.1174867433E-01 65 -0.1013001341E-01 66 0.3303749983E-09 67 -0.4607751300E-02 68 -0.1878988513E-02 69 -0.8422361263E-09 70 0.2407005997E-03 71 -0.1398028757E-02 72 0.1157314106E-02 73 -0.1031815143E-02 74 0.1239080376E-09 75 -0.1637794203E-09 76 -0.1002056577E-01 77 -0.6675652871E-02 78 0.2254269620E-03 79 -0.1199210316E-02 80 -0.1342356118E-08 81 -0.2771678846E-01 82 0.3039582329E-02 83 0.1347717633E-02 84 0.2396568286E-02 85 0.1355047063E-08 86 0.7285819277E+00 87 -0.2295227758E+00 88 0.2534480881E-01 89 0.2316743882E-01 90 0.1155515529E-08 91 -0.1324330836E-01 92 -0.1154941827E-02 93 0.1044552133E-02 94 0.1141849050E-02 95 -0.1145143341E-08 Sym= 1 Ene= -0.991822635305753 Spin= Alpha Occup= 1.97160237511887 1 0.6539549326E-02 2 0.5884110598E-01 3 0.8056585838E-02 4 -0.3606489099E-01 5 -0.2237058188E-01 6 -0.6452178762E-09 7 0.1279292631E-01 8 -0.1095534316E-01 9 0.1919813094E-08 10 -0.1581762320E-01 11 0.1549284569E-01 12 0.3247796146E-03 13 0.1025991473E-01 14 0.4240769320E-09 15 0.1045542548E-08 16 0.4719591661E-02 17 0.4402595345E-01 18 0.3341387305E-01 19 -0.2633057324E-02 20 0.3394350273E-01 21 -0.6762498273E-09 22 0.2476433123E-01 23 0.1118255388E-02 24 0.3548131438E-09 25 -0.1074206909E-02 26 0.1637966851E-02 27 -0.5638002691E-03 28 0.2006927619E-01 29 0.1505928198E-08 30 0.5038903115E-09 31 -0.8660534052E-03 32 -0.1956668123E-01 33 -0.3768023173E-01 34 0.1353621562E-01 35 -0.7398413501E-02 36 0.3739929581E-09 37 0.1995853613E-01 38 -0.2659266310E-02 39 0.2435679816E-09 40 0.1166407426E-02 41 0.3713598772E-03 42 -0.1537755458E-02 43 -0.8236618015E-03 44 0.8963774931E-09 45 -0.2182555563E-08 46 0.4708034238E-02 47 -0.5387697939E+00 48 0.8854379794E-01 49 0.4684297446E+00 50 -0.2400657206E+00 51 -0.9985594449E-09 52 -0.1258348177E+00 53 0.6577762506E-01 54 -0.5291102166E-09 55 -0.6939613734E-02 56 0.2323816692E-02 57 0.4615878857E-02 58 0.8876311479E-02 59 -0.3882724532E-09 60 -0.7218537535E-09 61 -0.1017565961E-03 62 -0.1623329727E-01 63 -0.1590495995E-01 64 0.2202156970E-01 65 -0.3194152304E-02 66 -0.8356501440E-09 67 0.5903200389E-02 68 -0.2397794932E-02 69 0.3246370159E-09 70 -0.5829472681E-03 71 0.1268231398E-02 72 -0.6852347117E-03 73 -0.1111721596E-02 74 -0.9529577467E-09 75 -0.1038370164E-08 76 0.1288508405E-01 77 0.4227796509E-02 78 -0.2577890930E-02 79 0.3303700703E-02 80 -0.1923176297E-08 81 -0.7170491852E+00 82 0.2689711381E+00 83 -0.4190748695E-01 84 0.2245527711E-01 85 -0.1586572294E-09 86 0.1549733736E-01 87 0.7410854117E-02 88 -0.4414189493E-02 89 0.3114065856E-03 90 -0.3165898436E-09 91 0.1009257852E-01 92 -0.1920919867E-02 93 0.1814785609E-03 94 0.1997321787E-03 95 -0.2377119482E-09 Sym= 1 Ene= -0.856414871016733 Spin= Alpha Occup= 1.96877211760893 1 0.7978142768E-03 2 0.3254461917E-01 3 0.6091485845E-01 4 0.7675285304E-01 5 -0.1514371162E-01 6 -0.1458402422E-08 7 0.4195452655E-02 8 -0.6632175866E-01 9 0.1918441977E-09 10 0.2744097015E-01 11 -0.2976747944E-01 12 0.2326513856E-02 13 0.5915083835E-02 14 0.2955193147E-09 15 0.6368882064E-09 16 0.7223179208E-04 17 0.4972492344E-01 18 0.3481827492E-01 19 0.6345247379E-01 20 -0.2590787121E-01 21 0.1111123698E-08 22 0.1970988851E-01 23 -0.8440671487E-02 24 -0.1918647014E-08 25 -0.1104320183E-01 26 0.8789379784E-02 27 0.2253758025E-02 28 -0.1514507004E-01 29 0.5338891593E-10 30 0.8078937357E-09 31 0.3243876066E-02 32 -0.3928198664E+00 33 0.1009348494E+00 34 -0.2698540180E+00 35 -0.4872239723E+00 36 0.5504884515E-09 37 0.1063939516E+00 38 0.1360791541E+00 39 -0.5942717080E-09 40 0.1503935747E-01 41 -0.2873648848E-01 42 0.1369717833E-01 43 -0.2503383615E-01 44 0.1343831839E-08 45 -0.1527737318E-08 46 0.9640985642E-03 47 0.5516902700E-01 48 0.1095713518E-01 49 0.3331599672E-01 50 -0.8143651244E-02 51 -0.1252618733E-08 52 -0.1167422985E-01 53 0.4305279525E-02 54 0.2978955585E-08 55 0.9452381535E-04 56 -0.2184924576E-02 57 0.2090359502E-02 58 -0.3678190689E-02 59 0.7974670874E-09 60 -0.7504131434E-09 61 0.4966189599E-02 62 -0.2986321941E+00 63 0.4860636297E-01 64 0.3180129778E+00 65 0.5548270297E+00 66 0.2084330403E-08 67 0.1961001768E-01 68 -0.7761075586E-01 69 0.4358686821E-09 70 -0.5622472557E-02 71 -0.8729628764E-02 72 0.1435212017E-01 73 -0.2769282810E-01 74 -0.5464196730E-09 75 -0.4763644194E-09 76 -0.5047508328E-01 77 0.1275217618E-01 78 -0.2152972840E-02 79 -0.3054802366E-02 80 -0.5585903060E-09 81 -0.2090968721E-01 82 0.5541120577E-02 83 0.7397428165E-04 84 0.1456275817E-02 85 0.2266700483E-09 86 -0.4323907512E-01 87 -0.6948124336E-02 88 0.1199975430E-02 89 0.1989650821E-02 90 -0.2108130066E-09 91 0.7075593348E-01 92 -0.5174255609E-02 93 -0.7583402407E-02 94 -0.5779906794E-02 95 -0.4456289440E-09 Sym= 1 Ene= -0.946650280743115 Spin= Alpha Occup= 1.96775295902031 1 -0.1339013046E-02 2 -0.4825037366E+00 3 0.1727634874E+00 4 -0.3979414843E+00 5 0.3983116855E+00 6 -0.1059500009E-08 7 0.1379968764E+00 8 -0.1269187971E+00 9 -0.1644964226E-08 10 -0.2798217896E-04 11 -0.9811553989E-02 12 0.9839535440E-02 13 0.3232991039E-01 14 0.4602495622E-10 15 -0.7445367992E-09 16 -0.9507030382E-04 17 0.4553122137E-01 18 0.3371519242E-01 19 0.2279765929E-01 20 0.2383160265E-01 21 -0.1586302014E-08 22 0.9645731027E-02 23 -0.1079131290E-01 24 -0.2018740431E-08 25 -0.1935622515E-02 26 0.7687853082E-03 27 0.1166723515E-02 28 0.2601298082E-02 29 -0.1037458019E-08 30 -0.5710331007E-09 31 0.1956911574E-02 32 0.2723378513E-01 33 0.2753250099E-01 34 0.3068669598E-01 35 0.3044497596E-01 36 0.4152666031E-08 37 0.7043840998E-02 38 0.4721733109E-01 39 -0.1737140347E-08 40 0.1846668065E-01 41 -0.2228140112E-01 42 0.3814840108E-02 43 0.1319975729E-01 44 -0.1298203210E-08 45 0.7787041515E-09 46 0.1472651922E-02 47 0.4120932933E-01 48 0.1388396378E-01 49 0.3700023747E-01 50 0.1689146517E-01 51 -0.4270132068E-09 52 -0.1546077579E-02 53 0.1554303700E-01 54 0.3194094500E-08 55 -0.1138618987E-01 56 0.8911503021E-02 57 0.2474659778E-02 58 0.3023064827E-02 59 -0.4066198987E-09 60 0.2094586094E-09 61 0.5875520473E-02 62 -0.3324182839E+00 63 0.9548773222E-01 64 0.4928062012E+00 65 -0.3840543670E+00 66 -0.3097806322E-09 67 -0.2642859322E-01 68 0.8316093125E-01 69 0.2523903303E-08 70 -0.2127031742E-01 71 0.6637936618E-02 72 0.1463240793E-01 73 0.2385141685E-01 74 0.1314702987E-10 75 0.8281617553E-09 76 0.8185203402E-01 77 -0.1276397880E-02 78 -0.7257065495E-02 79 0.2181992358E-02 80 -0.4895732905E-10 81 -0.5251880781E-01 82 -0.5094192053E-03 83 0.1974416307E-02 84 0.5738514393E-03 85 -0.5918400767E-10 86 -0.1429187505E-01 87 0.5660163833E-03 88 -0.3464125080E-03 89 -0.3182982003E-03 90 -0.5618060558E-09 91 -0.4755646953E-01 92 0.7578648294E-02 93 -0.3875935281E-02 94 0.5881462664E-03 95 -0.6063927772E-09 Sym= 1 Ene= -0.551406861695778 Spin= Alpha Occup= 1.96710362834642 1 -0.2832328946E-09 2 -0.2211927126E-08 3 0.7142382091E-08 4 0.1290148053E-08 5 -0.1675557435E-08 6 -0.2542961438E+00 7 0.3643615374E-08 8 -0.9945688051E-08 9 0.3388164456E-01 10 0.3116534349E-09 11 -0.1386747991E-08 12 0.1075091996E-08 13 -0.3023358289E-08 14 0.3509146550E-01 15 0.8936269739E-02 16 0.1085496727E-08 17 0.2138877434E-08 18 -0.1405891526E-07 19 0.2813354625E-08 20 -0.2291226439E-08 21 -0.1808424754E+00 22 -0.6531150300E-08 23 -0.7843414799E-08 24 0.3146049015E-01 25 0.1118976712E-08 26 -0.1190595741E-09 27 -0.9999155052E-09 28 0.6893412263E-09 29 0.9771335673E-02 30 -0.3055770985E-01 31 0.7549285442E-10 32 0.1718111086E-08 33 0.6054045813E-08 34 0.1681204380E-08 35 0.1003896059E-08 36 0.1388346747E+00 37 -0.5795068409E-08 38 0.4513209392E-08 39 0.3838789687E-01 40 -0.1494026580E-08 41 0.1644551704E-08 42 -0.1505251087E-09 43 -0.1601089376E-08 44 0.7318187340E-02 45 0.5370174492E-02 46 -0.3305805627E-09 47 0.6486332872E-09 48 0.1021357431E-07 49 0.1576122618E-08 50 0.5769010714E-09 51 -0.8030106629E+00 52 -0.5971301375E-08 53 -0.1834160681E-09 54 -0.5300726098E-01 55 0.1206496656E-09 56 -0.4747958678E-11 57 -0.1159022368E-09 58 -0.1448019024E-08 59 -0.1008301770E-01 60 0.1651799057E-02 61 0.7054905301E-10 62 -0.1269126841E-08 63 -0.1036675122E-07 64 0.4541961814E-09 65 0.6024840786E-10 66 0.1305227620E+00 67 0.4998439096E-08 68 -0.1652666853E-08 69 0.2634776390E-01 70 -0.3273182229E-09 71 0.6207442442E-09 72 -0.2934249775E-09 73 0.1782753183E-09 74 -0.9219917793E-03 75 -0.8388881032E-02 76 0.6473626792E-08 77 0.3409066391E-09 78 -0.4582228830E-10 79 -0.1597582094E-08 80 -0.6300570385E-02 81 -0.4309005712E-08 82 -0.3789865370E-09 83 -0.1131147996E-08 84 0.1495794359E-08 85 -0.2381073453E-01 86 -0.4499665899E-08 87 0.3634194555E-08 88 -0.1087225126E-08 89 -0.8730144695E-09 90 -0.4452846099E-02 91 0.2653012821E-08 92 -0.1522299742E-08 93 0.2041243340E-08 94 0.6186828617E-11 95 0.3573487711E-02 Sym= 1 Ene= -0.495131854001325 Spin= Alpha Occup= 1.94220473066255 1 -0.1499647869E-09 2 -0.1252355837E-08 3 -0.8747571435E-09 4 0.2265980738E-08 5 0.1143811542E-08 6 -0.5391284695E+00 7 0.3236733636E-09 8 -0.1785497130E-08 9 0.3211334559E-02 10 -0.1219599922E-08 11 -0.7256722076E-09 12 0.1945271247E-08 13 -0.1158819426E-08 14 -0.2193333578E-01 15 0.2781306370E-01 16 -0.8264732007E-09 17 -0.1320262573E-08 18 0.2430093891E-08 19 -0.1150374446E-08 20 0.7662969408E-10 21 0.1570651714E+00 22 -0.1641662885E-08 23 -0.3648215733E-09 24 0.4675279311E-01 25 -0.1134122939E-08 26 -0.7289809029E-09 27 0.1863103234E-08 28 -0.1925084781E-08 29 -0.6719269957E-02 30 0.2832959228E-02 31 -0.1627736017E-10 32 0.2334782741E-09 33 0.1041004421E-07 34 0.1546117947E-08 35 -0.6222353353E-09 36 -0.1408712319E+00 37 0.3360032209E-08 38 0.8836653157E-08 39 0.1336012244E-01 40 0.1218748654E-08 41 0.4019596247E-09 42 -0.1620703703E-08 43 -0.3163752638E-09 44 -0.1526508880E-01 45 -0.2667131212E-01 46 0.5648846197E-09 47 0.7873439958E-09 48 -0.1196755337E-08 49 -0.5994527893E-09 50 0.1205061143E-08 51 0.3464300467E-01 52 0.5079230932E-08 53 0.3286405404E-09 54 0.4433496390E-01 55 0.1744341056E-08 56 -0.5400359075E-09 57 -0.1204303921E-08 58 -0.8303904873E-09 59 -0.1261426988E-01 60 -0.1131766331E-01 61 0.1534896491E-08 62 0.4183065098E-08 63 -0.1710444228E-07 64 0.2299418417E-08 65 0.2143987740E-08 66 -0.6549821549E+00 67 0.2862226639E-08 68 0.2380722400E-08 69 -0.7939782707E-04 70 -0.4538736125E-09 71 -0.8212449227E-09 72 0.1275117549E-08 73 -0.1705107039E-08 74 0.3189433669E-01 75 -0.5938577954E-02 76 0.1300140972E-08 77 0.9252873946E-10 78 0.1042503619E-08 79 0.2948188843E-09 80 -0.1283196781E-01 81 0.2344400594E-08 82 0.1076899074E-08 83 -0.1825990344E-08 84 0.2166936402E-09 85 0.2618449135E-02 86 0.5908811626E-09 87 -0.8320393026E-09 88 -0.1093317997E-09 89 0.6852763932E-09 90 0.3928295082E-02 91 -0.9656002850E-09 92 0.6319998966E-09 93 0.2990857291E-09 94 -0.9957793001E-09 95 -0.3284157523E-02 Sym= 1 Ene= -0.435575377752930 Spin= Alpha Occup= 1.92652427024808 1 0.3541413342E-09 2 0.1306855186E-08 3 -0.5197853367E-08 4 0.3203572279E-08 5 -0.1682042073E-08 6 0.2008739143E+00 7 -0.7166923510E-08 8 0.1139379787E-07 9 0.5337685371E-01 10 0.7361761714E-09 11 -0.1397629982E-08 12 0.6614522658E-09 13 0.7762110920E-09 14 -0.5055335316E-02 15 0.6078463809E-02 16 0.2760188107E-09 17 0.3899491739E-09 18 -0.1384191238E-07 19 0.4462218971E-09 20 -0.2391150085E-09 21 -0.6023502349E+00 22 -0.1363408297E-07 23 -0.2749993317E-08 24 -0.8883810873E-02 25 -0.1209804557E-08 26 -0.1186352887E-09 27 0.1328439224E-08 28 -0.1300498079E-08 29 -0.2639199649E-01 30 -0.1880720347E-02 31 -0.1777786383E-08 32 -0.6202388209E-08 33 0.3229952012E-07 34 -0.1986312248E-08 35 -0.6038518286E-09 36 -0.6016232780E+00 37 -0.4982881497E-08 38 0.1490553029E-07 39 0.7128772365E-02 40 -0.1207122079E-08 41 0.9998176395E-09 42 0.2073067824E-09 43 0.8480328533E-09 44 0.2487676924E-01 45 -0.1106855173E-01 46 -0.1258104679E-08 47 -0.4293265240E-08 48 0.1104411890E-07 49 -0.2010032641E-08 50 -0.1609440283E-09 51 0.6320987083E-02 52 0.4217716543E-08 53 -0.2759613650E-09 54 0.4294389840E-01 55 0.1074854166E-09 56 -0.9309966431E-09 57 0.8235113963E-09 58 0.6236693758E-10 59 0.2677346018E-02 60 0.2085958591E-01 61 0.2619949282E-09 62 0.6842567582E-09 63 -0.3597830907E-08 64 -0.5441423126E-09 65 0.1437728042E-08 66 -0.9038669037E-01 67 0.3683523651E-08 68 0.4623732447E-08 69 0.1634297063E-01 70 0.5206915345E-09 71 0.1736565262E-09 72 -0.6943485880E-09 73 -0.3233302599E-09 74 0.5562746913E-02 75 0.1837482173E-01 76 0.2379786586E-08 77 -0.1028009991E-07 78 0.1102818813E-09 79 -0.1839213038E-08 80 0.4317126804E-02 81 0.8997122488E-09 82 -0.7086041478E-08 83 0.1289221869E-08 84 0.1364524819E-08 85 0.1729247824E-02 86 -0.3936368330E-09 87 -0.4694940616E-08 88 -0.1439306265E-10 89 0.1974263157E-08 90 -0.1558706195E-01 91 0.2114700295E-08 92 -0.6313513081E-09 93 -0.1352088101E-08 94 -0.3914257611E-09 95 -0.1515091480E-01 Sym= 1 Ene= 0.646827727716750 Spin= Alpha Occup= 6.554588512364620E-002 1 -0.6307852439E-09 2 -0.2120458017E-08 3 -0.4606930272E-08 4 -0.4674469969E-10 5 0.1317995299E-08 6 0.6570816870E-01 7 0.3927851264E-08 8 0.4018048593E-09 9 0.2449938957E-01 10 -0.7425426590E-09 11 -0.9016822933E-09 12 0.1644224547E-08 13 0.3407975796E-09 14 -0.2453902767E-01 15 -0.1470506997E-01 16 0.6448382190E-09 17 0.3372240600E-08 18 -0.5482829019E-08 19 -0.6856448287E-09 20 -0.2042576900E-09 21 -0.2197710699E+00 22 0.8262919035E-09 23 -0.4237820256E-08 24 0.4903487849E-01 25 -0.1735261785E-09 26 -0.4972442224E-09 27 0.6707707645E-09 28 -0.9793177043E-10 29 -0.3229893263E-01 30 0.9910702443E-02 31 0.4751525976E-09 32 0.3002424212E-08 33 -0.4923164947E-08 34 0.1177369805E-08 35 -0.4812997383E-09 36 0.8801757883E-01 37 -0.1359083538E-08 38 0.5953598222E-08 39 -0.1140840966E+00 40 -0.1320003400E-10 41 -0.2342952339E-09 42 0.2474958868E-09 43 0.7598624242E-09 44 0.3753203634E-02 45 -0.1000552042E-01 46 -0.1319880651E-08 47 -0.3583390856E-08 48 0.1487119778E-07 49 -0.9351596682E-09 50 0.3416139282E-10 51 0.1789179150E-01 52 0.1143152620E-08 53 0.2190958900E-08 54 -0.4840710399E-02 55 0.5220464255E-09 56 0.1384730620E-08 57 -0.1906775703E-08 58 0.3913648345E-09 59 0.8368538266E-01 60 -0.1002711110E+01 61 -0.1735467361E-09 62 -0.2274267650E-09 63 -0.3133947422E-09 64 0.2250555686E-10 65 -0.1065275362E-08 66 -0.3888119611E-01 67 -0.1837239491E-08 68 0.1418208718E-08 69 0.4733163232E-01 70 0.9676798576E-09 71 -0.2500993718E-09 72 -0.7175798819E-09 73 -0.9522144719E-09 74 0.4563394999E-02 75 -0.7717600866E-02 76 0.1432887198E-08 77 -0.1067856145E-08 78 -0.1359707282E-08 79 0.2916539414E-09 80 -0.2612843435E-03 81 -0.4669820745E-08 82 0.2306935915E-08 83 -0.1214884369E-08 84 0.3145630198E-10 85 -0.3251257945E-01 86 -0.8391256947E-09 87 0.5799296744E-09 88 -0.1227995344E-08 89 0.5023468083E-09 90 -0.1501384277E-01 91 0.1183260349E-08 92 0.3920279243E-08 93 -0.2805603419E-09 94 0.1063010917E-09 95 0.1568853629E-02 Sym= 1 Ene= 0.257244757779838 Spin= Alpha Occup= 5.455302719951690E-002 1 0.4129600100E-09 2 0.4612289778E-08 3 -0.3147277451E-08 4 0.2109076999E-08 5 0.3727970120E-08 6 -0.1584941377E+00 7 -0.3165688209E-08 8 0.2583046062E-08 9 -0.3224363266E-01 10 -0.1137580674E-10 11 0.1117200411E-09 12 -0.1003449914E-09 13 -0.5822796911E-10 14 -0.2018998858E-01 15 0.1052509199E-01 16 -0.8609455979E-09 17 -0.5614134153E-08 18 -0.4700798235E-08 19 0.1217713312E-08 20 0.1192399536E-08 21 -0.1024132290E+01 22 0.6156197195E-08 23 -0.2522038196E-08 24 0.2399580395E+00 25 -0.6957949714E-09 26 -0.9278474826E-09 27 0.1623643731E-08 28 -0.6274472243E-09 29 -0.3080404859E-01 30 0.1198137562E-01 31 0.2613267820E-09 32 0.3294175296E-08 33 -0.4579037389E-08 34 -0.1185673832E-08 35 0.1937831986E-08 36 0.9625881190E+00 37 0.4348807716E-10 38 0.3416550388E-11 39 -0.2185614758E+00 40 0.1347325117E-08 41 0.6991665733E-09 42 -0.2046494167E-08 43 0.9379605877E-09 44 -0.2351622600E-01 45 0.1662742446E-01 46 -0.4015013451E-09 47 -0.1354221078E-08 48 0.1012987648E-07 49 -0.3637053917E-08 50 0.3360172184E-08 51 0.2533057705E+00 52 -0.1731979903E-09 53 -0.6351085642E-08 54 0.1840145481E+00 55 0.2104923094E-08 56 -0.1899499181E-09 57 -0.1914970937E-08 58 -0.9346439973E-09 59 0.8748281270E-02 60 -0.1728166289E-02 61 0.2831065283E-09 62 0.1931210679E-08 63 0.9966829877E-10 64 -0.8512043259E-09 65 0.1198951667E-08 66 -0.1554179437E+00 67 -0.2210228059E-08 68 0.1171189971E-08 69 -0.8159721576E-01 70 -0.2895267368E-09 71 -0.4668216219E-09 72 0.7563483721E-09 73 -0.3762301338E-09 74 0.1881930158E-01 75 -0.7640049053E-02 76 -0.3450783174E-08 77 -0.8781721103E-09 78 0.2041811003E-09 79 0.1425344485E-08 80 -0.1256125880E-02 81 -0.3868073343E-08 82 0.1745488484E-09 83 -0.2464347933E-08 84 0.2157739379E-08 85 0.4734089473E-02 86 0.4174640463E-08 87 0.3129988327E-08 88 0.1160117915E-08 89 0.1501500010E-08 90 -0.7912372314E-02 91 0.2589252104E-08 92 -0.1089645767E-08 93 -0.9891044358E-09 94 -0.1235153188E-10 95 0.5111101424E-02 Sym= 1 Ene= 0.628912936224064 Spin= Alpha Occup= 2.174002676695100E-002 1 0.7941966703E-10 2 0.8238535964E-09 3 0.1865569386E-08 4 -0.1350982511E-08 5 -0.2218790439E-09 6 -0.1823307939E+00 7 -0.1585804394E-08 8 0.3016981573E-08 9 0.2392344458E-01 10 0.2508079320E-09 11 0.9100752612E-10 12 -0.3418150677E-09 13 0.7845851139E-09 14 -0.5422607509E-01 15 -0.1126276806E-01 16 0.8504876160E-09 17 0.2782129736E-08 18 -0.1643111185E-07 19 -0.7857544446E-09 20 -0.1057421019E-08 21 -0.1598755226E-01 22 -0.4882827738E-08 23 -0.3309089888E-08 24 0.4227462115E-01 25 -0.1011961007E-08 26 0.6208980977E-09 27 0.3910608332E-09 28 0.7940460760E-09 29 -0.2635332830E-01 30 0.1527019117E-02 31 -0.5088502338E-09 32 -0.1994147809E-08 33 0.1454930984E-07 34 -0.7652916355E-09 35 -0.8956128690E-09 36 0.1999723805E-01 37 -0.4317801964E-08 38 0.2571272181E-08 39 -0.1861775598E-01 40 0.5128127215E-09 41 0.1630551792E-09 42 -0.6758674878E-09 43 -0.6078756377E-09 44 0.8892715079E-02 45 -0.5357090527E-02 46 -0.1072726203E-08 47 -0.5564378248E-08 48 0.8619247119E-08 49 0.7965647470E-09 50 0.2000535909E-08 51 0.4313623260E-01 52 -0.1971174944E-08 53 -0.4003917872E-08 54 -0.2468895197E-01 55 0.1850286365E-09 56 -0.3147223612E-09 57 0.1296942311E-09 58 -0.1872399893E-08 59 0.9649646388E+00 60 0.1197898974E+00 61 -0.4039143890E-09 62 -0.1957087102E-08 63 0.2621293098E-08 64 -0.3376236146E-09 65 -0.7775233192E-09 66 0.1086938947E+00 67 0.6076079626E-09 68 0.1405502466E-08 69 -0.1121110711E+00 70 -0.1834984636E-09 71 -0.9599490548E-10 72 0.2794937986E-09 73 -0.1411412733E-09 74 0.5059666809E-02 75 0.1417431004E-01 76 0.6937479657E-12 77 -0.3742947365E-08 78 0.1886000608E-09 79 0.6898799712E-09 80 0.2108674314E-02 81 -0.5459147814E-08 82 0.4753309015E-08 83 -0.3035677612E-09 84 -0.3968958510E-09 85 -0.6512837094E-01 86 -0.1117086799E-08 87 0.1785082818E-09 88 -0.7627949145E-09 89 0.3585061760E-10 90 0.4970344048E-02 91 -0.1840934359E-08 92 0.2515542916E-09 93 0.5439450606E-09 94 -0.7864883644E-09 95 -0.1580343484E-02 Sym= 1 Ene= 0.574938944426555 Spin= Alpha Occup= 1.894501259130950E-002 1 0.2193765172E-08 2 0.7205784118E-08 3 -0.1991748520E-07 4 0.2129109798E-09 5 0.3235006146E-08 6 0.1048484061E+00 7 0.5438798853E-08 8 0.8782138216E-08 9 -0.1639814888E+00 10 -0.1893925072E-08 11 -0.7582013056E-09 12 0.2652121521E-08 13 -0.9181735930E-09 14 -0.2747445500E-02 15 0.2520682347E-01 16 0.1628888749E-09 17 -0.1282777708E-08 18 -0.8110413195E-08 19 0.5349872811E-09 20 0.6186868554E-09 21 0.2581242663E+00 22 0.9887099737E-09 23 0.2220930382E-08 24 0.5379862125E-01 25 -0.3347246824E-09 26 -0.3362840382E-09 27 0.6710083554E-09 28 -0.1994967398E-09 29 0.2280791020E+00 30 -0.6468102679E-01 31 -0.1102213326E-08 32 -0.2719277436E-08 33 0.1240307104E-07 34 0.1253270809E-08 35 0.1216245920E-08 36 0.4895394442E-01 37 -0.5079887290E-08 38 0.4987933164E-08 39 -0.1008454547E+00 40 -0.1986143149E-08 41 0.2514395210E-08 42 -0.5282521883E-09 43 0.1234936521E-08 44 0.8876059971E+00 45 0.7984362205E+00 46 -0.6572576995E-09 47 -0.1639128463E-08 48 0.2012268596E-07 49 -0.1038578324E-08 50 0.2982631692E-08 51 -0.1071972188E-01 52 -0.1037243777E-08 53 0.2476558578E-08 54 0.1881230168E-01 55 0.2647629287E-08 56 -0.6462764851E-09 57 -0.2001348882E-08 58 -0.1306450875E-08 59 -0.6398801978E-02 60 0.8544922593E-02 61 -0.5077250499E-09 62 -0.7478678991E-09 63 0.3016890520E-08 64 0.4979429814E-09 65 0.1316111402E-08 66 -0.2627520002E+00 67 -0.8628984569E-09 68 0.2636093510E-08 69 -0.4269596499E-01 70 0.5097991847E-09 71 -0.2134746089E-09 72 -0.2963253576E-09 73 -0.1683868929E-08 74 0.7701623250E-01 75 0.2775251407E+00 76 -0.2742720883E-08 77 -0.5371874457E-09 78 -0.4462800868E-09 79 0.2233728787E-08 80 -0.2404165682E-02 81 -0.1232149093E-07 82 0.2514896129E-08 83 -0.5343565668E-08 84 0.3543233233E-08 85 -0.1743414913E-02 86 0.3961751484E-08 87 0.1832723691E-08 88 0.2000060934E-08 89 0.1199534622E-08 90 0.3994940073E-02 91 0.1263194448E-08 92 0.1687754449E-09 93 0.7342397662E-09 94 -0.4135540412E-09 95 0.4771198432E-01 Sym= 1 Ene= 0.734010587286763 Spin= Alpha Occup= 1.758423627685510E-002 1 -0.2011753879E-08 2 -0.8648390496E-08 3 0.1128613195E-07 4 0.8036027387E-09 5 -0.2471584935E-08 6 -0.1191545630E+00 7 -0.5779034587E-08 8 0.5813395627E-08 9 0.1497438370E+00 10 0.8671736878E-09 11 -0.1452403693E-08 12 0.5852290507E-09 13 -0.7649658887E-09 14 0.1072293542E+01 15 0.5979253918E+00 16 -0.7244970532E-10 17 -0.9302529081E-09 18 0.1334383678E-07 19 0.1313136568E-08 20 -0.6457426300E-09 21 -0.1051543452E+00 22 0.1818204711E-08 23 -0.5716365423E-08 24 0.4350276595E-01 25 0.1090983066E-10 26 -0.2772553389E-09 27 0.2663472672E-09 28 0.6745794288E-09 29 -0.1438493684E-01 30 -0.1861268913E-01 31 0.1601325139E-08 32 0.6751090561E-08 33 -0.2032767732E-07 34 -0.2431952308E-08 35 0.3963916170E-09 36 0.7189535433E-01 37 0.9632188596E-08 38 0.3598700077E-09 39 -0.3316498308E-01 40 -0.4205509182E-09 41 -0.1101018613E-08 42 0.1521570584E-08 43 0.1088998570E-08 44 -0.5591972197E-02 45 -0.2932579386E-02 46 -0.1582407849E-10 47 0.2697396055E-10 48 -0.3150062935E-09 49 -0.3302960047E-09 50 0.1656982201E-09 51 0.1216583357E+00 52 -0.2127916149E-08 53 -0.3581323559E-08 54 0.3352355568E+00 55 -0.5942741301E-09 56 -0.4247189846E-09 57 0.1018991675E-08 58 -0.5187791030E-09 59 0.4521524899E+00 60 0.1524903193E+00 61 -0.1482385657E-08 62 -0.6995743283E-08 63 0.1239520218E-07 64 0.2949358957E-10 65 -0.1482349656E-08 66 0.1748118658E-01 67 -0.4657934114E-08 68 0.1319994577E-08 69 -0.2507675144E+00 70 0.1511369286E-08 71 -0.7368459977E-09 72 -0.7745218559E-09 73 0.9253973077E-09 74 0.1035290671E-01 75 -0.1801974221E+00 76 0.1875233863E-08 77 -0.6397285521E-08 78 0.7159720200E-10 79 -0.1377639149E-08 80 -0.3894596902E+00 81 0.2603854850E-09 82 -0.8401542462E-09 83 0.2833354649E-09 84 0.1877741010E-09 85 -0.7305386117E-02 86 -0.3410571501E-08 87 -0.2149695255E-08 88 -0.1742549801E-08 89 -0.9417181875E-09 90 -0.3367806979E-02 91 0.2396819747E-08 92 0.3637646918E-09 93 -0.1233203799E-08 94 0.8729167523E-09 95 -0.9427894075E-02 Sym= 1 Ene= 0.730821055519160 Spin= Alpha Occup= 1.705378026023120E-002 1 -0.2194641453E-08 2 -0.7893937503E-08 3 0.1038053054E-07 4 -0.1575401846E-08 5 -0.2530728013E-08 6 -0.1990842300E+00 7 0.8487407525E-09 8 -0.5261759232E-08 9 0.1247325409E-01 10 0.1063274435E-08 11 0.3219264132E-09 12 -0.1385198334E-08 13 -0.1334310143E-09 14 -0.4591854387E-01 15 0.2176057361E-01 16 -0.6859260265E-12 17 0.8489139916E-09 18 0.1405438906E-07 19 -0.3592967190E-09 20 -0.8938108011E-09 21 -0.1087653003E+00 22 0.1496414665E-08 23 0.2045239287E-08 24 0.1591400338E+00 25 0.7127201746E-09 26 0.4566069904E-09 27 -0.1169327720E-08 28 0.8938584320E-09 29 0.7026607635E-02 30 0.3518965292E-02 31 0.1405582926E-08 32 0.5580712783E-08 33 -0.1796448077E-07 34 -0.2104511566E-08 35 0.1111252577E-08 36 0.2430874671E+00 37 0.7504300231E-08 38 -0.9266289512E-08 39 -0.1028089939E+00 40 -0.1578896150E-09 41 -0.1143456628E-08 42 0.1301345394E-08 43 -0.6269291223E-10 44 0.5478377003E-01 45 0.1053880575E+00 46 0.2095567175E-09 47 0.4495022354E-09 48 -0.1351295474E-07 49 0.1018475741E-08 50 -0.1875136921E-08 51 0.1697914497E-01 52 0.4981433848E-08 53 0.4068728963E-10 54 -0.1812965845E-01 55 -0.1776994604E-08 56 0.3654202912E-09 57 0.1411571942E-08 58 0.1318961794E-08 59 0.1147509879E-01 60 0.3035595081E-02 61 -0.7168943777E-09 62 -0.3421333619E-08 63 0.5133857597E-08 64 0.1038553931E-08 65 -0.7209849551E-10 66 -0.8793978291E-02 67 -0.2277545570E-08 68 -0.1807717220E-08 69 0.5441498523E-02 70 0.1688343356E-09 71 -0.2495662164E-09 72 0.8073273217E-10 73 -0.1233467520E-08 74 0.6118206535E-02 75 0.1066710946E+01 76 0.4547681667E-08 77 -0.9361751769E-09 78 -0.3305220831E-09 79 -0.2331807236E-08 80 0.2868603059E-01 81 0.8956981317E-08 82 0.1962439389E-09 83 0.3890745088E-08 84 -0.2243688941E-08 85 0.2399798410E-03 86 -0.3351477186E-08 87 -0.7870009004E-09 88 -0.2262402589E-08 89 -0.1172618182E-08 90 -0.1592065221E-02 91 -0.4274527430E-09 92 -0.2025091102E-08 93 -0.3164136894E-09 94 0.9463191945E-09 95 0.1570930510E-01 Sym= 1 Ene= 0.929707067876672 Spin= Alpha Occup= 1.446886150270650E-002 1 -0.1830258048E-08 2 -0.8165215584E-08 3 0.7067711340E-08 4 -0.9633155461E-09 5 -0.7216264176E-08 6 -0.1829276835E+00 7 -0.1525578708E-07 8 0.1761882476E-07 9 0.4614947719E-01 10 0.9175566721E-09 11 -0.2417417337E-08 12 0.1499861041E-08 13 0.2258827828E-09 14 -0.2886130769E-01 15 0.2815288968E-03 16 -0.1375630776E-09 17 0.1760409402E-08 18 0.2449392646E-08 19 0.1804591065E-09 20 -0.5132770557E-09 21 -0.2183117899E+00 22 0.4862464669E-08 23 -0.1187937164E-07 24 0.8412939672E-01 25 0.1112144035E-11 26 -0.1225987071E-08 27 0.1224876838E-08 28 -0.7477989120E-09 29 -0.7150363305E-02 30 0.1083620815E-01 31 0.1707080792E-08 32 0.7142364858E-08 33 -0.9921591986E-08 34 0.2487979800E-08 35 -0.3531507607E-08 36 0.1629792881E+00 37 0.5854283984E-08 38 0.8740069703E-08 39 -0.2455531993E+00 40 -0.5706421334E-09 41 0.7774633847E-09 42 -0.2068215631E-09 43 -0.3106290134E-08 44 0.3595689675E-02 45 -0.2000462740E-01 46 -0.9421308311E-09 47 -0.5070288502E-08 48 0.3994325779E-08 49 0.5723291338E-08 50 -0.1633378154E-08 51 -0.1495302825E+01 52 -0.4939977787E-08 53 -0.1108238354E-07 54 0.1810163027E+01 55 -0.2756988792E-08 56 0.7713187314E-09 57 0.1985668997E-08 58 0.1079337878E-08 59 0.5382327555E-01 60 -0.2451580010E-01 61 -0.1635892045E-08 62 -0.4189379276E-08 63 0.1791536809E-07 64 0.6771724198E-09 65 0.4599655151E-10 66 0.1852238968E+00 67 -0.5367689353E-08 68 0.6629684409E-08 69 -0.2354706692E+00 70 -0.1644451753E-09 71 0.3856064542E-09 72 -0.2211607035E-09 73 -0.8813579035E-10 74 0.6846519846E-02 75 0.7372224731E-02 76 0.9663169489E-08 77 -0.1713160695E-07 78 -0.1936735066E-10 79 -0.4479685717E-08 80 0.1598212856E-01 81 0.1449002399E-07 82 -0.1159633720E-07 83 0.4769573595E-08 84 -0.2071304104E-08 85 0.9482547838E-02 86 0.5723174887E-08 87 -0.1197262771E-07 88 -0.8468761892E-09 89 0.8945240708E-09 90 0.5916005624E-02 91 -0.6085647353E-08 92 0.6155177540E-08 93 0.3320078601E-08 94 -0.3103951332E-08 95 -0.4538333946E-02 Sym= 1 Ene= 0.968368134765267 Spin= Alpha Occup= 1.401532555331840E-002 1 0.1134143079E-10 2 0.7069841063E-09 3 -0.5215841281E-09 4 -0.2763109523E-08 5 -0.4529300168E-08 6 -0.3921945736E+00 7 -0.1484630703E-07 8 0.6754172144E-08 9 0.1664128614E+01 10 -0.5973571706E-09 11 0.8871414197E-09 12 -0.2897786093E-09 13 0.4754855213E-09 14 0.7283855764E-01 15 -0.4041170481E+00 16 0.3194108472E-10 17 -0.2627866501E-09 18 0.1190631703E-07 19 0.3551681899E-08 20 -0.2880598931E-08 21 0.3408091566E-01 22 0.3864792942E-08 23 -0.6785888445E-08 24 0.1791979157E-01 25 0.1377390780E-08 26 -0.6706897060E-09 27 -0.7066987463E-09 28 0.8438350448E-09 29 -0.7005971842E-01 30 0.1082332628E+00 31 0.4239534379E-08 32 0.1756201564E-07 33 -0.3013363701E-07 34 0.2167293533E-08 35 -0.3359187863E-08 36 0.5091990272E-01 37 0.1194537752E-07 38 -0.6123322228E-08 39 0.4925555304E+00 40 -0.2508943864E-08 41 -0.6195934653E-09 42 0.3128538693E-08 43 -0.1591594514E-08 44 0.1199504031E+00 45 0.2335941936E+00 46 0.8217056721E-09 47 0.2954241736E-08 48 -0.1914720445E-07 49 0.5298337267E-08 50 0.6342779212E-09 51 0.2456314047E+00 52 0.4710260042E-08 53 -0.1578386112E-07 54 -0.9450492697E+00 55 -0.4820601396E-08 56 0.2807184677E-08 57 0.2013411837E-08 58 0.1969702764E-08 59 -0.1602455756E+00 60 -0.1244331670E-02 61 -0.1304659754E-08 62 -0.5972106304E-08 63 0.2097926512E-07 64 -0.1571853905E-08 65 -0.1110501111E-08 66 0.8389548950E+00 67 -0.9329739733E-09 68 0.4173383611E-08 69 -0.2051567153E+01 70 -0.1711820192E-08 71 0.1128900711E-08 72 0.5829198505E-09 73 0.5525738947E-09 74 0.3633227326E+00 75 -0.1217671229E-01 76 -0.2108213786E-08 77 0.4313418386E-09 78 0.1917676170E-08 79 -0.3277008329E-08 80 -0.6531910218E-01 81 0.1830365528E-07 82 -0.2249662453E-09 83 0.7207312994E-08 84 -0.6084798511E-08 85 0.4848275595E-01 86 -0.6692151237E-08 87 0.2475300414E-08 88 -0.1963386193E-08 89 -0.1315640975E-08 90 0.1171594222E-02 91 0.4657455546E-10 92 -0.7839174665E-08 93 0.2661203480E-08 94 -0.3474505090E-08 95 -0.2003894919E-01 Sym= 1 Ene= 1.85440802016671 Spin= Alpha Occup= 1.287169433779450E-002 1 -0.1645302264E-08 2 -0.7115586502E-08 3 0.2668968543E-08 4 -0.8527055702E-09 5 -0.4342856020E-08 6 -0.8076172093E-02 7 -0.2520908466E-08 8 0.1155215074E-07 9 0.1083350503E-01 10 0.3971754143E-09 11 -0.8427819116E-09 12 0.4456103302E-09 13 0.6021638695E-09 14 0.1586897281E-01 15 0.3652726808E-02 16 0.8226807238E-10 17 -0.1489518332E-08 18 0.3807882409E-08 19 0.3382109289E-08 20 -0.5721609080E-09 21 -0.1470665782E+00 22 0.1326489592E-07 23 0.1306392012E-07 24 -0.3568930253E+00 25 0.1864508611E-08 26 -0.9686384217E-09 27 -0.8958705424E-09 28 -0.2734466437E-08 29 0.4203715247E+00 30 0.3119750588E+00 31 0.4956192779E-09 32 0.1073815156E-08 33 -0.1528223471E-07 34 0.1456881934E-08 35 0.1054554824E-08 36 -0.7460641289E-01 37 0.1566106975E-08 38 -0.1052515723E-07 39 0.1686615360E+00 40 -0.1079381232E-08 41 -0.5234272020E-09 42 0.1602807896E-08 43 -0.9528406187E-09 44 0.6579125214E-01 45 -0.7475103153E-01 46 -0.9641318669E-09 47 -0.4785311734E-08 48 -0.2502871432E-10 49 0.2679692695E-08 50 -0.1665220712E-08 51 -0.6125807542E-01 52 -0.2460836098E-08 53 0.2635865253E-09 54 0.1642497668E+00 55 -0.5924248384E-09 56 0.2524331236E-09 57 0.3399933941E-09 58 -0.2346527152E-09 59 -0.5454106150E-01 60 0.1277119808E-01 61 -0.1219008816E-08 62 -0.4434391723E-08 63 0.1826563036E-07 64 0.5376516292E-09 65 -0.9101619036E-09 66 0.2063796199E-01 67 -0.3218808890E-08 68 -0.4736441187E-09 69 -0.4357796515E-01 70 0.2945678505E-09 71 0.4728664455E-09 72 -0.7674340424E-09 73 -0.3543965285E-09 74 -0.1034209070E-01 75 -0.5534415862E-02 76 -0.8915195264E-09 77 -0.2192437715E-08 78 0.2916593579E-09 79 -0.3818115512E-08 80 -0.8504760443E-02 81 0.2995847292E-08 82 -0.3599094950E-08 83 0.2388176770E-08 84 -0.2544038737E-08 85 -0.2584118183E-01 86 0.1608338171E-07 87 -0.1321586243E-08 88 0.1817085620E-08 89 -0.5755991587E-09 90 0.1219147399E+01 91 0.2017334053E-09 92 -0.4217920243E-08 93 0.5531739996E-09 94 -0.8457991681E-09 95 -0.4422093353E-01 Sym= 1 Ene= 1.87392367716560 Spin= Alpha Occup= 1.170421951026110E-002 1 -0.1282864568E-08 2 -0.5612945209E-08 3 0.6004206327E-08 4 -0.4484142081E-09 5 -0.6073521644E-09 6 0.5818216402E-02 7 0.4413007116E-08 8 -0.7963305072E-09 9 -0.2794173161E-01 10 -0.4852835236E-09 11 0.9282189684E-09 12 -0.4429340712E-09 13 0.8692778046E-09 14 0.4217168606E-02 15 -0.1300717011E-01 16 0.1145401326E-08 17 0.3924122939E-08 18 0.1308741477E-08 19 -0.6469481898E-09 20 -0.1218296914E-10 21 0.7835757238E-01 22 -0.1602848697E-08 23 0.1110309708E-07 24 -0.1384479954E+00 25 -0.1202986199E-10 26 0.1438872081E-08 27 -0.1426843011E-08 28 0.1314666959E-08 29 0.9960473936E-01 30 0.5811556192E-01 31 0.1928684703E-08 32 0.6493416997E-08 33 -0.1501403957E-07 34 0.6601411275E-09 35 -0.2666021283E-08 36 0.1390018428E+00 37 -0.6398106561E-08 38 0.1284202926E-08 39 0.3241419795E+00 40 0.3664492569E-09 41 -0.1191723841E-08 42 0.8252727319E-09 43 0.1717500463E-09 44 0.3427895742E+00 45 -0.4571949741E+00 46 0.8525297909E-09 47 0.3519462612E-08 48 -0.1439070601E-07 49 -0.8393210268E-09 50 -0.2418414383E-08 51 -0.2184382190E-01 52 0.4103484365E-08 53 0.9392786526E-08 54 0.3717156687E-01 55 -0.5915344367E-09 56 -0.5413239849E-09 57 0.1132856233E-08 58 0.1955628613E-08 59 -0.1251271714E-01 60 0.1165229726E-01 61 -0.8105295512E-09 62 -0.3028089913E-08 63 0.6276906478E-08 64 -0.4293533928E-10 65 -0.1222545900E-09 66 0.4137551375E-01 67 0.7233496250E-09 68 -0.3210036645E-08 69 -0.1084455419E+00 70 0.3522350090E-09 71 0.6069185475E-09 72 -0.9591528878E-09 73 -0.5202928291E-09 74 -0.6544523085E-01 75 0.4305475021E-02 76 0.3153126544E-08 77 -0.5649918880E-08 78 -0.1178056025E-08 79 -0.1099325559E-10 80 0.1914457561E-01 81 0.4694492124E-08 82 -0.8925022137E-09 83 0.1338070586E-08 84 -0.1588199300E-08 85 -0.6452297240E-02 86 -0.8067301178E-09 87 0.3141467004E-08 88 -0.7016003336E-09 89 -0.1263265426E-08 90 0.2894016694E-01 91 0.3704607058E-08 92 0.4778329108E-08 93 0.1186080533E-08 94 -0.4986466871E-09 95 -0.1217007187E+01 Sym= 1 Ene= 0.604791621144722 Spin= Alpha Occup= 1.059476718663800E-002 1 0.3352660875E-09 2 0.6003005690E-09 3 -0.2094360904E-07 4 0.5727598815E-09 5 0.1911512552E-08 6 0.8452018844E-01 7 0.1025588034E-07 8 -0.6237296932E-09 9 -0.6140064081E-01 10 -0.4341745919E-09 11 -0.2136583904E-08 12 0.2570757422E-08 13 -0.8186764296E-09 14 0.1458002521E-01 15 -0.6580168423E-02 16 0.1440414438E-08 17 0.4233993857E-08 18 -0.2188811087E-07 19 0.1046425613E-08 20 0.5114804093E-09 21 0.1768001093E+00 22 0.2853991802E-08 23 -0.1231343241E-08 24 -0.1691030938E+00 25 0.2317328190E-08 26 -0.2561116463E-08 27 0.2437873260E-09 28 -0.2742617124E-08 29 -0.6066638063E+00 30 0.1039445950E+01 31 -0.1844926868E-08 32 -0.6128418368E-08 33 0.1170144581E-07 34 0.4999315116E-08 35 -0.8396480644E-09 36 0.1670009739E+00 37 -0.8617100015E-08 38 0.7069444200E-08 39 0.1391545539E+00 40 -0.4926614524E-09 41 0.1146718437E-08 42 -0.6540571448E-09 43 0.5718635886E-09 44 -0.2381457751E+00 45 -0.5052682045E-01 46 -0.1844998967E-08 47 -0.7336751062E-08 48 0.2565827984E-07 49 -0.7053707730E-09 50 0.4632732398E-10 51 -0.9911953302E-01 52 0.7255311041E-08 53 0.2314555574E-08 54 -0.3145710076E+00 55 0.1670349974E-08 56 -0.7039737980E-11 57 -0.1663306370E-08 58 0.1292270711E-09 59 -0.4030586410E-01 60 0.4304472990E+00 61 0.3630823659E-09 62 0.2044951078E-08 63 -0.5607182234E-08 64 0.1266419569E-08 65 0.3351206462E-09 66 -0.5932478919E-01 67 -0.2084614225E-08 68 0.5917589486E-09 69 0.6175387431E-01 70 0.1336374883E-08 71 -0.6191484098E-09 72 -0.7172267736E-09 73 -0.1335645989E-08 74 -0.1403532155E-02 75 -0.3027879574E-01 76 0.3990140449E-08 77 0.3223054421E-08 78 -0.1628298044E-08 79 -0.1346930412E-08 80 0.2398543029E-02 81 -0.3930740010E-08 82 0.5120298805E-08 83 -0.1055759255E-08 84 0.1036113860E-09 85 -0.1535876894E-02 86 0.7414933922E-08 87 0.2077926053E-08 88 0.4377304766E-09 89 0.2092849538E-08 90 0.3459349675E-01 91 0.1458842010E-08 92 0.1987223480E-08 93 0.7579216495E-09 94 -0.8139363008E-09 95 -0.1469850367E-01 Sym= 1 Ene= 0.686263261694035 Spin= Alpha Occup= 8.557077878901410E-003 1 -0.2549174685E-09 2 -0.8667152881E-09 3 -0.2403202389E-08 4 0.1503762577E-08 5 0.1217475289E-08 6 0.2096461371E+00 7 -0.2828920261E-08 8 0.7208770005E-08 9 -0.1623002432E+00 10 -0.9596501805E-11 11 -0.2230621953E-09 12 0.2326553137E-09 13 -0.2368200244E-09 14 0.3191809484E-01 15 0.1907605548E-01 16 0.8728265596E-09 17 0.2591814748E-08 18 -0.3406076210E-07 19 0.9954190791E-09 20 0.6188709274E-09 21 -0.1257073348E-01 22 -0.1421194332E-07 23 -0.1188139012E-07 24 0.2298492164E-01 25 -0.9359483726E-09 26 -0.1233830126E-08 27 0.2169775668E-08 28 -0.1567452086E-08 29 0.1679698221E-01 30 -0.8225851658E-02 31 -0.9921531692E-09 32 -0.3449167714E-08 33 0.2566098041E-07 34 -0.7546192733E-09 35 -0.1045555454E-08 36 0.7718250066E-01 37 -0.1349697362E-07 38 0.1722602370E-07 39 -0.6340765553E-01 40 0.6341607834E-09 41 0.1180389270E-08 42 -0.1814548876E-08 43 -0.6004436954E-09 44 0.1462518074E-01 45 0.6315821507E-01 46 -0.1151707630E-08 47 -0.4234738268E-08 48 0.1765033253E-07 49 -0.7438035925E-09 50 -0.6358424629E-09 51 -0.3413200245E-01 52 0.4699067799E-08 53 -0.6871026671E-08 54 0.7766222746E-01 55 0.1039083164E-08 56 -0.3288639960E-09 57 -0.7102174529E-09 58 -0.1419175481E-09 59 0.9419307860E-03 60 0.2162553480E-02 61 -0.4869051357E-09 62 -0.1726322815E-08 63 -0.1148520279E-08 64 0.9761475122E-09 65 -0.6672882624E-09 66 -0.1688003531E+00 67 0.2277703255E-09 68 0.4012209947E-08 69 0.2505560755E+00 70 -0.2630451097E-08 71 -0.2610251932E-09 72 0.2891476604E-08 73 -0.1063397836E-08 74 0.1004987238E+01 75 -0.7407675680E-03 76 -0.2040925392E-08 77 -0.3120095851E-08 78 0.7181526204E-09 79 0.1444060033E-08 80 -0.2459611679E-01 81 0.6387165053E-10 82 0.5029229911E-09 83 -0.9686738205E-11 84 0.9860799568E-09 85 -0.1366480450E-02 86 0.2587976525E-08 87 -0.4866540578E-08 88 0.2259765910E-08 89 0.1356384603E-08 90 -0.6594930919E-03 91 -0.7361830018E-09 92 0.1016911938E-07 93 0.3315720761E-09 94 -0.4229614931E-09 95 -0.8372371034E-02 Sym= 1 Ene= 0.257739901454015 Spin= Alpha Occup= 8.173152459478980E-003 1 -0.1605223506E-09 2 0.4081486290E-09 3 -0.7372003463E-08 4 0.3100841375E-08 5 0.5119672012E-08 6 -0.9458764286E+00 7 0.7179480328E-09 8 0.3964428919E-08 9 0.1635548535E+00 10 -0.1019326964E-08 11 -0.1519580007E-09 12 0.1171281567E-08 13 -0.5298559643E-09 14 -0.1674074576E-01 15 0.1047110877E-01 16 -0.2514041011E-09 17 0.2186563092E-09 18 -0.8026625410E-08 19 0.1395950686E-08 20 0.2318808838E-09 21 -0.7928077234E-01 22 -0.8379267465E-08 23 -0.5325305792E-08 24 0.2620718361E-02 25 0.9425505396E-10 26 -0.9644818683E-09 27 0.8702264902E-09 28 -0.9498748722E-09 29 -0.1266445390E-01 30 0.4988410817E-02 31 -0.7681301555E-09 32 -0.1983552650E-08 33 0.1085137300E-07 34 0.1504664880E-08 35 -0.8153488632E-09 36 -0.2048299122E+00 37 -0.4688093375E-08 38 0.1092133673E-07 39 -0.7923663443E-01 40 -0.6913460761E-10 41 0.2722531950E-11 42 0.6641433168E-10 43 0.3208998435E-10 44 0.2290786813E-01 45 -0.8885445498E-02 46 -0.3280309932E-09 47 -0.1303626431E-08 48 0.1196008367E-07 49 -0.1895232207E-08 50 0.2018268677E-09 51 0.2662405504E+00 52 0.7481448521E-08 53 -0.1585742673E-08 54 0.1878577665E+00 55 0.1943529483E-08 56 -0.4031059186E-09 57 -0.1540422792E-08 58 -0.1978692173E-09 59 0.8408812184E-02 60 -0.3396159549E-02 61 0.1992151034E-09 62 0.2308036363E-08 63 -0.2405007123E-08 64 -0.1415767930E-08 65 -0.1138184576E-08 66 0.9669461644E+00 67 0.1135731756E-09 68 0.3215481807E-08 69 -0.2701212664E+00 70 0.4341574951E-09 71 0.2435548991E-09 72 -0.6777124967E-09 73 -0.4169525806E-09 74 -0.2461930037E-01 75 0.2045076381E-02 76 -0.3285822039E-08 77 -0.1359552788E-08 78 0.3742036578E-09 79 0.1925456556E-08 80 0.8335854955E-02 81 -0.1560610413E-08 82 0.1451219613E-08 83 -0.1735898404E-08 84 0.1147540262E-08 85 0.5188758551E-02 86 -0.1522063502E-08 87 -0.2509778499E-08 88 0.3899098389E-09 89 0.5427761749E-09 90 -0.2643694018E-02 91 0.3191219159E-08 92 0.3505688106E-08 93 -0.8556093837E-09 94 -0.2165620823E-09 95 -0.4950504631E-02 Sym= 1 Ene= 1.05845221111636 Spin= Alpha Occup= 7.153287882355440E-003 1 0.7935726761E-09 2 0.5568608903E-08 3 -0.6009998650E-08 4 0.1799195226E-08 5 -0.3384444545E-09 6 0.1194784329E+00 7 0.1102514781E-07 8 0.6236576273E-09 9 -0.3921898812E+00 10 -0.7521400119E-09 11 0.6984366798E-09 12 0.5370283885E-10 13 0.1190409082E-08 14 0.6116082887E+00 15 -0.1008780299E+01 16 -0.5450621648E-09 17 -0.7326465365E-09 18 0.2615192754E-07 19 -0.1968069777E-09 20 -0.1692753767E-08 21 -0.3269618149E-01 22 0.1078436260E-08 23 0.4227600030E-08 24 -0.1575084448E-01 25 0.1367763457E-08 26 0.6939663399E-09 27 -0.2061730205E-08 28 0.2017429539E-08 29 0.7500046338E-04 30 -0.2315944792E-01 31 -0.2638992512E-10 32 -0.9972255405E-09 33 -0.9484733663E-08 34 0.2077977717E-09 35 -0.1543417812E-09 36 0.7101211858E-01 37 0.8197773672E-08 38 -0.6701836858E-08 39 -0.7858686667E-01 40 -0.1793113532E-08 41 0.1329083551E-08 42 0.4640317899E-09 43 0.1236822960E-08 44 -0.1042409740E-01 45 -0.3548746726E-02 46 -0.1484186308E-08 47 -0.7060976455E-08 48 0.9833666139E-08 49 -0.1889107260E-08 50 -0.1943901775E-08 51 -0.6143255547E-01 52 0.6370779454E-08 53 0.9259408037E-08 54 0.2978413583E+00 55 -0.2664719986E-09 56 -0.2839349500E-09 57 0.5504061665E-09 58 0.9893928569E-09 59 0.3841646755E-01 60 0.1233705661E+00 61 0.1059123119E-08 62 0.4344445030E-08 63 -0.8228510268E-08 64 0.2912987874E-09 65 0.2453784704E-08 66 -0.2719396092E+00 67 -0.4345244037E-09 68 -0.7015255226E-08 69 0.2799869072E-02 70 -0.6815308091E-09 71 -0.2276055101E-09 72 0.9091355492E-09 73 0.1563589549E-08 74 0.3169914112E+00 75 -0.2309154994E+00 76 -0.6453199036E-09 77 -0.4911201460E-09 78 -0.2065327922E-08 79 0.1026727067E-08 80 0.7535266168E+00 81 -0.6362302611E-09 82 0.1089447708E-09 83 -0.1582150597E-09 84 -0.7471347727E-09 85 -0.9648328209E-02 86 -0.3578097860E-08 87 -0.4809772106E-08 88 -0.2663570816E-08 89 -0.2509961584E-08 90 0.5134132059E-02 91 -0.1112683390E-08 92 -0.2669043589E-08 93 -0.7717089194E-09 94 0.2010098319E-09 95 0.6709908167E-02 Sym= 1 Ene= 0.800055964571482 Spin= Alpha Occup= 6.482146264335920E-003 1 -0.5225730307E-10 2 0.2932175065E-09 3 0.9833056404E-08 4 0.1747659472E-08 5 0.2589480225E-08 6 -0.1239755571E+01 7 -0.3775817131E-08 8 -0.3999812484E-08 9 0.1371447237E+01 10 0.4055230171E-10 11 0.7997103874E-09 12 -0.8402638134E-09 13 0.1445188121E-09 14 -0.1757908625E-01 15 -0.1137003276E+00 16 0.1765796536E-08 17 0.4338980983E-08 18 -0.4548770353E-07 19 0.2304952529E-08 20 0.2117749296E-08 21 0.1440498314E+00 22 -0.1034639934E-07 23 -0.1799147077E-07 24 -0.2586422163E+00 25 -0.1488787703E-08 26 -0.7763735027E-09 27 0.2265160802E-08 28 -0.1080979432E-08 29 -0.1563844706E-01 30 -0.1770232306E-01 31 -0.1030664316E-08 32 -0.3513035016E-08 33 0.1777979948E-07 34 0.8248189070E-09 35 0.2010447798E-08 36 -0.1526444681E+00 37 -0.2099963278E-07 38 0.2787579198E-07 39 0.1132661055E-01 40 0.1186706335E-08 41 -0.5902990103E-09 42 -0.5964070087E-09 43 0.2231420416E-08 44 -0.6759985443E-02 45 -0.2331861087E-01 46 -0.1105315339E-08 47 -0.3936499604E-08 48 0.2417542133E-07 49 -0.5747222722E-08 50 0.3621510606E-08 51 0.1453750270E-01 52 -0.9153160061E-08 53 -0.7396996156E-08 54 -0.1380971966E+00 55 0.3087701813E-08 56 -0.7134544280E-09 57 -0.2374244020E-08 58 -0.2370061732E-08 59 0.1990365144E-01 60 0.1295788953E-01 61 0.2037426737E-08 62 0.8610413522E-08 63 -0.2398624152E-07 64 0.4827559114E-08 65 -0.3943791275E-10 66 -0.8826503360E+00 67 -0.3428511892E-09 68 0.2215176741E-08 69 0.9688551534E+00 70 0.1810755679E-08 71 -0.1010970061E-08 72 -0.7997845132E-09 73 -0.8439053081E-09 74 -0.6497241225E-01 75 -0.2472451967E-01 76 -0.5207182152E-08 77 0.2203985697E-08 78 0.4183578521E-09 79 0.2392886749E-08 80 0.7679270795E-01 81 -0.1078340258E-07 82 -0.4586740308E-08 83 -0.6040531695E-08 84 0.3864403428E-08 85 0.5609999730E-02 86 0.3910900995E-08 87 -0.1841332604E-08 88 0.3729383096E-08 89 0.2844078799E-08 90 -0.6622217785E-02 91 0.1019481424E-07 92 0.1469539488E-07 93 -0.2548273867E-08 94 0.2603299576E-08 95 0.3620382039E-02 Sym= 1 Ene= 0.675762704875728 Spin= Alpha Occup= 6.331872046651110E-003 1 -0.4419676128E-09 2 -0.2431291730E-08 3 -0.3879689489E-08 4 0.9833562858E-09 5 0.4724558342E-08 6 0.8197584216E-01 7 0.5594811418E-08 8 -0.1582823173E-08 9 -0.2255312251E+00 10 0.1214208722E-09 11 -0.1419801358E-08 12 0.1298375543E-08 13 -0.8794739971E-09 14 0.1543658106E-01 15 0.1998073969E-01 16 0.8068890210E-09 17 0.1935360300E-08 18 -0.9369587273E-08 19 0.6598557234E-08 20 0.1120408071E-08 21 -0.1009948593E+01 22 -0.9022865360E-08 23 0.2424324978E-08 24 0.1146250148E+01 25 0.4877924296E-10 26 -0.5936404526E-09 27 0.5448595284E-09 28 -0.1350396464E-08 29 0.8206286477E-02 30 0.9712173342E-01 31 0.2070114527E-09 32 -0.4277543494E-09 33 -0.7112041557E-08 34 0.2713150994E-08 35 -0.2888655583E-08 36 -0.1103727695E+01 37 -0.1101635973E-07 38 -0.4011276959E-08 39 0.1218453266E+01 40 -0.1097082228E-08 41 -0.9617851772E-09 42 0.2058867766E-08 43 -0.2081022468E-09 44 0.1504806612E-01 45 0.6808974636E-01 46 0.8211745657E-09 47 0.3354689877E-08 48 0.4055003418E-08 49 -0.4595271556E-08 50 0.2103860085E-08 51 0.8112652217E-02 52 0.8194387051E-08 53 0.1488769465E-09 54 -0.1640166462E+00 55 0.2547312490E-08 56 -0.1400673359E-08 57 -0.1146637510E-08 58 -0.1636678220E-08 59 -0.2741335165E-02 60 0.2546654272E-01 61 -0.8616449399E-09 62 -0.4072940455E-08 63 0.1148229946E-07 64 0.1911544569E-08 65 0.2413094850E-09 66 -0.9668838404E-01 67 -0.5535945909E-08 68 -0.8509840186E-08 69 -0.3265636925E-02 70 0.1093886941E-08 71 0.9661808519E-09 72 -0.2060066539E-08 73 0.4791021219E-09 74 -0.5320051138E-03 75 0.5422469575E-02 76 -0.2778688536E-08 77 0.4309418495E-08 78 0.4540612768E-10 79 0.1374700339E-08 80 -0.8926978961E-02 81 -0.8422064537E-08 82 0.1053051027E-07 83 -0.5131869900E-08 84 0.4060512708E-08 85 0.3763348554E-02 86 0.3001287707E-08 87 -0.3331915543E-08 88 0.8172055348E-09 89 -0.5626302174E-09 90 0.2755973638E-01 91 0.2063410105E-08 92 0.2448602546E-08 93 0.6395528512E-09 94 0.7074446826E-09 95 0.2366297354E-01 Sym= 1 Ene= 0.749447727105661 Spin= Alpha Occup= 6.034285597633700E-003 1 0.1393643194E-08 2 0.4273691590E-08 3 -0.2151851579E-07 4 -0.1550120714E-08 5 0.1795809482E-08 6 0.7373447878E-01 7 0.5625983317E-08 8 0.1606541482E-07 9 -0.3301587920E+00 10 0.6795365826E-09 11 -0.1271246832E-08 12 0.5917096012E-09 13 0.1754811434E-08 14 0.1751144532E+00 15 0.4736902568E-01 16 -0.6615331290E-09 17 -0.2275471900E-08 18 -0.9467788111E-08 19 -0.4212252286E-08 20 -0.4623396084E-08 21 0.5834481775E+00 22 0.1738966586E-07 23 0.1509283401E-07 24 -0.1970617246E+01 25 0.1724505263E-08 26 0.7006675727E-09 27 -0.2425175576E-08 28 0.1248617006E-08 29 -0.3734634822E+00 30 -0.3087623568E+00 31 -0.2822494010E-08 32 -0.1070550577E-07 33 -0.7980551871E-08 34 0.4437547752E-08 35 -0.3535351405E-09 36 -0.5737574711E+00 37 -0.1680008438E-07 38 0.4394353863E-09 39 0.1878639890E+01 40 0.1164506260E-08 41 -0.3771926676E-08 42 0.2607420241E-08 43 0.2228987749E-08 44 -0.2966066937E+00 45 0.3061587801E+00 46 -0.2608761817E-08 47 -0.1129166441E-07 48 0.2181917214E-07 49 0.1563993658E-10 50 0.2361277200E-08 51 -0.2398273160E+00 52 -0.2720063677E-08 53 -0.3693547484E-10 54 0.1051582946E+01 55 0.1522082173E-08 56 -0.3560988360E-09 57 -0.1165980647E-08 58 -0.7632969496E-09 59 0.1065957781E+00 60 -0.1501626248E+00 61 -0.9307983538E-09 62 -0.7945212831E-09 63 0.2058960287E-07 64 0.2273308862E-08 65 0.1746867928E-08 66 0.1010884483E+00 67 -0.1108535907E-07 68 -0.3968889458E-08 69 -0.5605240715E+00 70 0.1245892692E-08 71 -0.4178023863E-09 72 -0.8280902658E-09 73 -0.6763754296E-09 74 0.8523187738E-01 75 0.1308160858E+00 76 0.1989072311E-08 77 -0.8612314978E-08 78 -0.1309523620E-08 79 0.2999441022E-09 80 0.2534558070E-01 81 -0.1030064510E-07 82 0.5809428116E-08 83 -0.1391010178E-08 84 0.8290950338E-09 85 -0.5817971786E-01 86 0.4801355504E-08 87 0.1148499364E-07 88 0.9805266800E-09 89 0.4088077173E-09 90 0.3779279709E-02 91 0.4634117223E-08 92 0.1022683356E-07 93 -0.2726909772E-08 94 0.4056542707E-08 95 -0.3016627713E-01 Sym= 1 Ene= 0.508190629416907 Spin= Alpha Occup= 5.777792808640320E-003 1 0.7599681029E-09 2 0.2325415743E-08 3 -0.6009109854E-08 4 0.2385326958E-09 5 0.1650641507E-08 6 -0.2098627854E-01 7 0.6620613307E-09 8 -0.3003469421E-08 9 0.3548650088E-01 10 0.5761521725E-09 11 -0.6916755216E-09 12 0.1155221639E-09 13 -0.9864049068E-10 14 0.8021251806E-02 15 -0.3007973338E-01 16 0.7765149349E-09 17 0.1978907334E-08 18 -0.1528418461E-07 19 0.2243683087E-08 20 -0.2386175560E-09 21 0.4245814494E+00 22 -0.8496058230E-08 23 -0.1057652828E-07 24 -0.3032840134E+00 25 -0.1405343988E-09 26 -0.1526902192E-08 27 0.1667437108E-08 28 -0.7438022254E-09 29 0.2124153225E+00 30 0.2973636978E-01 31 0.4590184319E-09 32 0.3691365715E-08 33 -0.5522357805E-09 34 0.1811754865E-08 35 0.1611074396E-08 36 -0.2192061636E+00 37 -0.9779356983E-08 38 0.9302149156E-08 39 0.2133078995E+00 40 -0.2414916533E-08 41 -0.3790606697E-09 42 0.2793979665E-08 43 0.9729966228E-09 44 0.7793905593E+00 45 -0.7606169837E+00 46 -0.1089982174E-08 47 -0.3063387753E-08 48 0.1646861728E-07 49 -0.2641835119E-08 50 0.1194272008E-08 51 -0.6576624484E-01 52 0.3170475860E-09 53 -0.4949990439E-08 54 0.1275128454E+00 55 0.1223145122E-08 56 0.3644336996E-09 57 -0.1587577228E-08 58 -0.1787205049E-08 59 -0.1652801896E-01 60 0.1020959399E-01 61 0.4760096397E-09 62 0.6684476541E-09 63 -0.3899028270E-08 64 -0.2438757775E-10 65 -0.3669393385E-09 66 0.8059242181E-01 67 0.8406899887E-09 68 -0.1944883049E-08 69 -0.4593796388E-01 70 -0.2792931178E-09 71 0.4161170144E-09 72 -0.1368231950E-09 73 -0.1308663831E-09 74 -0.8721358425E-01 75 -0.2281998959E-01 76 0.9888736081E-09 77 0.4267777459E-08 78 -0.1105636654E-09 79 -0.3382735975E-09 80 0.1412527053E-02 81 -0.4520663255E-08 82 0.2376230651E-08 83 -0.2538264559E-08 84 0.1614406345E-08 85 -0.1561316308E-02 86 0.1728042256E-08 87 -0.7323814097E-08 88 0.6856098225E-09 89 -0.8822840926E-10 90 0.2221553744E-01 91 0.6258900057E-08 92 0.4587810289E-08 93 -0.8045154880E-09 94 0.8907370134E-09 95 -0.1680154550E-01 Sym= 1 Ene= 1.20157831784545 Spin= Alpha Occup= 5.557444609014610E-003 1 -0.8854311192E-09 2 -0.3653932562E-08 3 -0.2748772406E-08 4 -0.2625367530E-08 5 -0.5318498535E-10 6 -0.2694389941E+00 7 -0.8206072537E-08 8 0.7892853111E-08 9 -0.4129556228E-01 10 -0.4359734248E-09 11 -0.1241472550E-08 12 0.1677446743E-08 13 -0.2838741348E-08 14 -0.1245429178E+00 15 0.3322010692E+00 16 -0.5330977674E-09 17 -0.1902276414E-08 18 0.3077563417E-08 19 -0.2075689631E-08 20 0.8240493482E-10 21 -0.4857790260E-01 22 0.1190696132E-07 23 0.6783754164E-08 24 0.1035705904E+00 25 0.1591850448E-09 26 -0.5614580579E-09 27 0.4022721746E-09 28 0.2306790144E-09 29 0.1135685166E-01 30 0.1739946317E-01 31 -0.3311612609E-09 32 -0.1585828455E-08 33 -0.3899735973E-08 34 0.3136838357E-08 35 -0.1230238168E-08 36 -0.1802160011E-01 37 0.2250906816E-08 38 -0.1018003847E-07 39 0.4703755854E-01 40 0.1185181674E-08 41 -0.6145066147E-09 42 -0.5706739878E-09 43 -0.1465907738E-08 44 0.1514452464E-01 45 0.6813676609E-02 46 0.1320086935E-08 47 0.4045616968E-08 48 -0.1525102013E-07 49 0.4629666773E-08 50 -0.4638535050E-09 51 0.4141906008E-01 52 -0.3895365085E-09 53 -0.7643904009E-08 54 -0.8817428956E-02 55 -0.9500644937E-09 56 0.5620619221E-11 57 0.9444428736E-09 58 0.9606558482E-09 59 0.6187536566E-01 60 -0.5509079836E-02 61 -0.2756429548E-08 62 -0.1119707567E-07 63 0.2729843356E-07 64 0.1413123264E-08 65 -0.2758596584E-08 66 0.2226319128E+00 67 -0.5651691439E-08 68 0.6570529896E-08 69 -0.1066445735E+00 70 -0.1616994309E-09 71 0.7212133710E-09 72 -0.5595140397E-09 73 -0.5678011792E-09 74 -0.9499802504E-01 75 0.7240460760E-01 76 0.3394930989E-08 77 -0.5846727777E-08 78 0.2514718280E-08 79 -0.2653592488E-08 80 0.8615365321E+00 81 0.7352876641E-08 82 0.1010775206E-08 83 0.4389092455E-08 84 -0.1848277785E-08 85 -0.3062452833E-02 86 0.5482292692E-08 87 0.3016190770E-08 88 0.1209651297E-10 89 0.4532421707E-09 90 0.5456953625E-02 91 -0.4075780955E-08 92 -0.3359944572E-08 93 0.1150057690E-08 94 -0.7763636554E-09 95 0.7822034241E-02 Sym= 1 Ene= 1.79525601671482 Spin= Alpha Occup= 5.459584360809230E-003 1 -0.5409979594E-09 2 -0.2524150510E-08 3 0.1916697525E-08 4 0.3206646908E-09 5 0.2318702271E-08 6 -0.4592320892E-02 7 0.5638413920E-09 8 0.8560084972E-08 9 -0.1684037861E+00 10 0.1353784937E-08 11 -0.1721417910E-08 12 0.3676297250E-09 13 -0.2254322167E-10 14 0.5518603395E-01 15 -0.3153949939E-01 16 0.2547212817E-09 17 0.6990913754E-09 18 -0.6475576930E-08 19 -0.1551155877E-08 20 -0.2129025148E-08 21 -0.6537518593E-02 22 -0.5601131849E-08 23 -0.8540323238E-08 24 -0.1568585608E+00 25 -0.2364866238E-09 26 -0.8487321999E-09 27 0.1085218880E-08 28 0.4936378515E-09 29 0.5627948897E-01 30 -0.3633310589E-01 31 0.1968597443E-09 32 0.8808952137E-09 33 -0.1519214362E-09 34 -0.5986371596E-09 35 -0.1763260222E-09 36 0.3003729605E-02 37 -0.3355641529E-08 38 0.8609995892E-08 39 0.8394473193E-02 40 0.4775472112E-09 41 -0.1075420095E-08 42 0.5978762546E-09 43 0.1215458039E-08 44 0.1182580214E-01 45 -0.1741868025E-01 46 -0.1604312513E-08 47 -0.4701465244E-08 48 0.1766174164E-07 49 -0.1867256121E-08 50 0.1371199897E-09 51 0.1379791635E-01 52 0.5460592431E-08 53 -0.4626889087E-08 54 0.6360055531E+00 55 -0.1509146497E-09 56 0.1036677046E-09 57 0.4724804832E-10 58 -0.1033083943E-08 59 -0.4574921342E+00 60 0.2347007925E+00 61 -0.2252691465E-09 62 -0.1055309917E-08 63 0.3257566571E-08 64 -0.1097677937E-08 65 0.1313183820E-09 66 -0.2486513647E-02 67 -0.1721193056E-08 68 0.3735163854E-09 69 0.2139670093E-01 70 0.8693097713E-09 71 -0.1166919877E-08 72 0.2976111731E-09 73 0.7965486208E-11 74 0.1425388022E-01 75 -0.8282853388E-02 76 -0.9324027297E-09 77 -0.8707190421E-08 78 0.1734546366E-09 79 0.1784666240E-08 80 0.3668119375E-01 81 -0.3576273542E-08 82 0.4028911746E-08 83 -0.1981860934E-08 84 -0.2471392401E-09 85 -0.1210618986E+01 86 -0.9005693985E-10 87 -0.7842473011E-08 88 -0.1224131249E-08 89 -0.1239329564E-08 90 0.1978623104E-01 91 0.3404802772E-08 92 0.5898053257E-08 93 -0.1090103647E-08 94 0.1438099456E-08 95 -0.4584397883E-02 Sym= 1 Ene= 0.511656286209134 Spin= Alpha Occup= 5.349247656236050E-003 1 0.2949634705E-09 2 0.1217292877E-08 3 -0.5393141666E-08 4 -0.1169193854E-08 5 -0.6802044476E-09 6 -0.2330262425E-01 7 0.2841050335E-08 8 -0.2776967431E-08 9 0.7334316753E-01 10 0.4917070408E-09 11 -0.1642181574E-09 12 -0.3274886829E-09 13 0.2064933424E-09 14 -0.2244287972E-01 15 -0.1577834058E-01 16 -0.2992766996E-09 17 -0.5025700389E-09 18 0.8236537029E-08 19 0.2588551663E-08 20 0.1089805774E-08 21 -0.2585709978E+00 22 -0.1424390857E-08 23 0.1712155013E-08 24 0.2668475008E+00 25 0.4740752895E-08 26 -0.1446115221E-08 27 -0.3294638889E-08 28 -0.8574554831E-09 29 -0.9912656201E+00 30 -0.5044034397E+00 31 -0.3463192426E-09 32 -0.2651804003E-08 33 -0.3391785508E-08 34 0.1300107688E-08 35 -0.7887109095E-09 36 0.4489439528E+00 37 0.1460919782E-08 38 -0.3434788062E-08 39 -0.3066147297E+00 40 -0.2562017930E-08 41 0.9140802883E-09 42 0.1647936256E-08 43 0.3466608060E-09 44 -0.1843926809E+00 45 0.7081553835E-01 46 -0.2760339997E-09 47 -0.1763408394E-08 48 -0.4416403993E-09 49 0.5507957267E-09 50 0.2674555402E-09 51 0.9251277268E-01 52 0.4283195158E-08 53 0.1508043987E-08 54 -0.7189441866E-01 55 -0.1341283818E-08 56 0.7907926098E-09 57 0.5504922249E-09 58 -0.9816295284E-09 59 0.7469445009E-01 60 -0.9943825260E-01 61 -0.1616030318E-09 62 -0.2433564903E-08 63 0.2216525681E-08 64 -0.2385255411E-08 65 0.1795884284E-09 66 -0.5571687358E-01 67 0.2166278141E-08 68 -0.1257769747E-08 69 0.9005068176E-01 70 -0.4570562536E-09 71 0.6638767752E-09 72 -0.2068208739E-09 73 -0.4780433935E-10 74 0.1763585925E-01 75 -0.8739189690E-02 76 -0.2039096795E-09 77 0.4020922413E-08 78 -0.4012418082E-09 79 -0.9614192794E-09 80 0.1659719035E-02 81 0.1924876703E-08 82 0.2509828413E-09 83 0.1624473509E-09 84 -0.6550496354E-09 85 0.4551652019E-02 86 0.3387938349E-08 87 -0.5219536680E-08 88 0.1381261656E-08 89 -0.1392201551E-08 90 -0.6924031990E-01 91 -0.2911901641E-08 92 0.8254090325E-09 93 0.8359083939E-09 94 0.3312317638E-10 95 0.5370468159E-02 Sym= 1 Ene= 1.86456579205776 Spin= Alpha Occup= 5.164492335866610E-003 1 -0.2120385011E-01 2 -0.8391031477E-01 3 0.2247838960E+00 4 0.1002040205E-01 5 0.8053223080E-02 6 -0.1574780355E-08 7 -0.1509812770E-01 8 -0.2700929623E+00 9 0.2422006736E-08 10 0.3301675409E-01 11 0.3466113018E-01 12 -0.6767867025E-01 13 0.3561711564E-01 14 -0.1854167086E-08 15 -0.2685377650E-09 16 0.7524253482E-01 17 0.3332014860E+00 18 0.1792080962E-01 19 -0.5310450410E-01 20 0.2395012172E+00 21 0.1202934845E-08 22 0.1722850006E+00 23 -0.3671144003E-01 24 -0.3700337464E-09 25 0.6871485974E-03 26 0.5009871261E-01 27 -0.5078578327E-01 28 -0.4022423972E-01 29 -0.1240303875E-09 30 0.3931722788E-09 31 0.2677421001E-01 32 0.9583035250E-01 33 -0.3942303292E+00 34 0.4119782714E-02 35 0.1383489658E-01 36 0.1463725364E-08 37 0.1378569856E+00 38 -0.2128790936E+00 39 -0.1049638524E-08 40 -0.4589798406E-02 41 -0.6763082138E-02 42 0.1135339608E-01 43 -0.7110920144E-02 44 0.5095274458E-09 45 0.7997932550E-10 46 -0.1326906304E+00 47 -0.6138749324E+00 48 0.3946420953E+00 49 -0.9057822988E-01 50 -0.3579142569E-01 51 0.1065094210E-08 52 0.6786014073E-01 53 0.2361619411E+00 54 -0.2103494604E-08 55 -0.3849402189E+00 56 -0.6271925328E+00 57 0.1012132381E+01 58 0.1412137974E-01 59 -0.6989872530E-09 60 -0.1315643873E-08 61 0.7230040996E-02 62 0.2835712047E-01 63 -0.6890518375E-01 64 0.9752202284E-02 65 0.1620800927E-02 66 0.3960408227E-09 67 0.1682782066E-01 68 -0.9118252314E-01 69 -0.5612101717E-09 70 -0.3781491726E-02 71 0.2993353980E-02 72 0.7881331230E-03 73 0.1326673073E-01 74 0.2824969412E-09 75 0.1551991311E-09 76 0.2815809659E-02 77 0.9425244106E-01 78 -0.2179543791E-02 79 0.1407136748E-01 80 -0.7891050113E-10 81 0.5074520208E-02 82 0.1757009567E-01 83 0.8120179431E-01 84 -0.4617462872E-01 85 0.1256330778E-08 86 0.6514879862E-03 87 0.1030308394E+00 88 -0.1309328867E-02 89 -0.4489971142E-02 90 -0.3206170340E-09 91 -0.1469002334E-02 92 -0.1011889866E+00 93 -0.3086634629E-02 94 0.3856818796E-02 95 0.4871678951E-09 Sym= 1 Ene= 1.81111774742659 Spin= Alpha Occup= 4.814902152071930E-003 1 0.5301657324E+00 2 0.2356863020E+01 3 -0.9041546172E+00 4 -0.1466573121E+01 5 -0.5893929936E+00 6 -0.1556382948E-08 7 0.7147370999E+00 8 0.3109933256E+00 9 -0.3127860292E-09 10 0.2779154803E+00 11 -0.2423114103E+00 12 -0.3560432024E-01 13 0.6971001262E-01 14 0.7665132889E-09 15 0.1537111924E-09 16 -0.6794958552E-01 17 -0.2155061797E+00 18 0.1164961068E+01 19 -0.1652107556E-01 20 -0.1360669296E-01 21 -0.2359219546E-08 22 0.1139942006E+01 23 0.5755292745E+00 24 -0.6388975376E-10 25 -0.1771070393E-01 26 0.9836894471E-01 27 -0.8065865912E-01 28 0.1743709801E+00 29 0.4145351198E-09 30 0.9117017006E-09 31 -0.4040773591E-01 32 -0.1119157729E+00 33 -0.9134076078E+00 34 -0.8546824781E-02 35 -0.5668613341E-01 36 -0.8539736289E-09 37 0.3444304409E+00 38 -0.2008868557E+00 39 -0.3460227242E-09 40 0.1645896327E-01 41 0.4643194576E-01 42 -0.6289143276E-01 43 -0.6182379672E-01 44 -0.5370049760E-09 45 -0.1123216765E-08 46 0.4677873689E+00 47 0.1796245271E+01 48 -0.3453930974E+01 49 0.4249849210E+00 50 0.2285668145E+00 51 -0.3381328322E-09 52 -0.2146108143E+01 53 -0.7451121899E+00 54 0.3023977678E-08 55 -0.5856072880E+00 56 0.1281627670E+00 57 0.4574444419E+00 58 -0.4159921712E+00 59 -0.1142694918E-09 60 -0.2241827005E-09 61 -0.4921114143E-01 62 -0.1833685177E+00 63 0.3784833621E+00 64 0.2167514665E-01 65 -0.1006731467E-01 66 -0.1775466072E-08 67 -0.2668811101E+00 68 -0.1906733960E+00 69 0.2844522128E-08 70 0.8697540892E-01 71 -0.6200848575E-01 72 -0.2496709390E-01 73 0.2997290858E-01 74 0.4228757005E-09 75 -0.1905867228E-09 76 0.8666349477E-01 77 0.9007733136E-01 78 -0.2400939347E-01 79 -0.1717749679E-01 80 -0.2925483568E-09 81 -0.7577649513E-01 82 0.1761739030E-01 83 0.1108974055E+00 84 0.3689495302E-01 85 -0.7840684571E-09 86 0.2347725894E-01 87 0.3454456434E+00 88 -0.6997631869E-01 89 -0.3305743171E-01 90 0.1097050738E-08 91 -0.5679736896E-01 92 -0.8444630250E-01 93 0.9216985720E-03 94 -0.2264911299E-01 95 -0.1234435167E-08 Sym= 1 Ene= 0.835401150541977 Spin= Alpha Occup= 4.669530949575360E-003 1 0.7320103267E-01 2 0.7764800845E+00 3 -0.2621734946E+00 4 -0.1069985313E+01 5 -0.4114857093E+00 6 0.4529378746E-09 7 0.3734630056E+00 8 0.7277215215E-01 9 -0.1008836448E-08 10 0.1146833034E+00 11 -0.7446045369E-01 12 -0.4022298621E-01 13 0.7251674427E-01 14 -0.3085736894E-09 15 0.1433719696E-08 16 -0.4397561387E-02 17 -0.1840464485E-04 18 -0.3465762423E-01 19 -0.1105220311E-02 20 0.1897395528E-01 21 0.6665998333E-10 22 -0.4772814726E-01 23 -0.4570069016E-01 24 -0.3684224978E-09 25 0.4230667131E-02 26 0.6004570718E-03 27 -0.4831492252E-02 28 -0.4317775615E-02 29 -0.1863290800E-10 30 -0.2400099761E-09 31 0.5674542576E-02 32 -0.1383735250E-01 33 0.2000344696E-01 34 -0.2843163491E-01 35 -0.4143875463E-01 36 -0.4373913498E-09 37 0.1297320449E-01 38 0.1665650957E-02 39 0.9065910740E-09 40 0.6833923280E-02 41 -0.8116016207E-02 42 0.1282189528E-02 43 0.1180799213E-01 44 0.3090017157E-09 45 0.7423526582E-09 46 -0.2220361207E+00 47 -0.1352810824E+01 48 0.8393069678E+00 49 -0.1095898787E+01 50 -0.6278376553E+00 51 -0.1046519427E-08 52 0.6412848144E+00 53 0.3069652315E+00 54 0.3942676603E-09 55 -0.3888869338E-01 56 0.1940497383E-01 57 0.1948383383E-01 58 -0.1309314332E+00 59 -0.5213935348E-10 60 0.6808260916E-10 61 0.8474387271E-02 62 0.1827062960E-01 63 -0.3251563980E-01 64 0.6152986622E-01 65 0.5082105669E-01 66 0.1618881479E-08 67 0.9716886198E-01 68 -0.7957681314E-02 69 -0.1100351950E-08 70 -0.3957417438E-02 71 -0.8911355676E-02 72 0.1286870353E-01 73 -0.6406641840E-02 74 -0.3808321269E-09 75 -0.1887352165E-09 76 -0.2364545108E-01 77 0.1168802166E-02 78 -0.1000751254E-01 79 -0.9900460738E-02 80 -0.8282173139E-09 81 0.6118581259E-01 82 -0.4474702631E-01 83 -0.1457727619E-01 84 -0.7111929094E-02 85 0.8920360519E-10 86 -0.4090945433E-01 87 -0.2650766677E-02 88 -0.7259404094E-03 89 -0.2111546900E-02 90 -0.4778430569E-10 91 0.5291425678E-02 92 -0.4948630647E-02 93 -0.1933746880E-02 94 0.2347498390E-02 95 0.7853819851E-09 Sym= 1 Ene= 1.46606610253552 Spin= Alpha Occup= 4.213588510194230E-003 1 -0.1306008235E+00 2 -0.4369614520E+00 3 0.1376693065E+01 4 -0.1049068634E+00 5 0.6231867797E-01 6 -0.1799980809E-08 7 0.1230139949E+01 8 -0.7090264709E+00 9 -0.2200180191E-09 10 0.6722344991E-01 11 0.7200369275E-01 12 -0.1392272544E+00 13 -0.9879039216E-01 14 -0.2315666504E-08 15 0.1276482428E-08 16 -0.3591983996E+00 17 -0.1152753836E+01 18 0.1089913319E+02 19 0.1913293236E+00 20 -0.1600615641E+00 21 0.7759698818E-09 22 0.5926936665E+01 23 0.2032191228E+01 24 -0.1441598865E-08 25 0.6189466926E+00 26 -0.8781941284E-01 27 -0.5311264668E+00 28 0.2571169810E+00 29 0.1699284281E-09 30 0.2680083705E-09 31 0.5355675611E+00 32 0.1716021258E+01 33 -0.1365273781E+02 34 -0.4451297814E-01 35 0.7527553474E-02 36 -0.2000110529E-08 37 0.4701048251E+01 38 -0.5416019488E+01 39 -0.7496636855E-09 40 -0.4752577908E+00 41 -0.4717015877E+00 42 0.9469591647E+00 43 0.1219057302E+00 44 0.6584076792E-09 45 -0.7398234336E-10 46 0.5344911364E-01 47 0.1710124091E+00 48 -0.1778559727E+01 49 0.5383009908E-01 50 0.1531437478E-01 51 0.1115156869E-09 52 -0.5542139683E+00 53 0.8711987475E+00 54 -0.2786677771E-10 55 0.1195322790E-01 56 0.4876874024E-01 57 -0.6072231077E-01 58 0.6847094369E-01 59 0.3928226551E-09 60 0.1132556863E-09 61 -0.3656691001E+00 62 -0.1303937617E+01 63 0.4561352979E+01 64 0.2803587540E-01 65 -0.6994640063E-02 66 -0.3587239288E-08 67 -0.1468814220E+01 68 -0.2446747091E+01 69 0.6494234465E-08 70 0.2743753737E-01 71 0.6348261169E-01 72 -0.9091990643E-01 73 0.3980879704E+00 74 0.5814548921E-09 75 -0.3948586637E-09 76 -0.8771986377E-01 77 0.1772142564E+00 78 -0.1174786910E+00 79 0.4196855136E-01 80 -0.5986765377E-09 81 -0.1530788649E+00 82 0.3257975646E+00 83 0.3115891933E-01 84 -0.1188619622E+00 85 0.1643346318E-09 86 -0.3630274941E+00 87 0.1515032553E+01 88 -0.4572996219E+00 89 -0.1100061477E+00 90 -0.6154247943E-09 91 0.5591044302E+00 92 -0.2267061641E+01 93 -0.2475877597E+00 94 0.3129943659E+00 95 -0.7113919251E-09 Sym= 1 Ene= 0.923860904095032 Spin= Alpha Occup= 3.433649402077280E-003 1 0.2242307982E-02 2 0.2391279379E-01 3 -0.8584247493E-02 4 0.2319998980E-01 5 -0.1557094164E-01 6 0.2526201207E-08 7 0.1117115395E-01 8 -0.7101802441E-03 9 -0.1142765647E-08 10 -0.6881336024E-02 11 0.8031159630E-02 12 -0.1150111614E-02 13 -0.4872442491E-02 14 0.8711698923E-11 15 0.4471931017E-09 16 0.2148151435E+00 17 0.1402149590E+01 18 -0.4071024707E+00 19 0.1315665982E+01 20 -0.2791413894E+00 21 0.5649679951E-09 22 -0.4105055161E+00 23 0.1766588836E+00 24 -0.1498528322E-08 25 0.1084448164E+00 26 -0.8919634118E-01 27 -0.1924888045E-01 28 -0.5074162933E-01 29 -0.3191643540E-09 30 -0.1000130236E-08 31 -0.1905243018E+00 32 -0.1281863779E+01 33 0.3133090753E+00 34 0.1375763975E+01 35 -0.4161809933E-01 36 0.2586264254E-08 37 -0.4268707273E+00 38 -0.9257805994E-01 39 -0.3301417385E-08 40 -0.1215938923E+00 41 0.9548851133E-01 42 0.2610537309E-01 43 0.1650762412E-01 44 0.6211024028E-09 45 0.5696002061E-09 46 0.2317884291E-01 47 0.5501686430E-01 48 -0.1656688187E+00 49 -0.1806579604E-01 50 -0.2889296065E-02 51 0.1610396015E-08 52 -0.5003114141E-01 53 0.6139799556E-01 54 -0.9939106078E-09 55 -0.5488369878E-02 56 -0.6367577581E-02 57 0.1185606693E-01 58 0.3668243100E-01 59 0.3306929164E-09 60 -0.5073492573E-10 61 -0.1355511629E-01 62 -0.3848498357E-01 63 0.8098188987E-01 64 -0.4118333224E-01 65 0.3123913541E-01 66 -0.4902476252E-09 67 -0.1004095444E+00 68 -0.6711414699E-01 69 0.1005935275E-08 70 0.1183333911E-01 71 -0.3613556172E-02 72 -0.8219728437E-02 73 0.7409362042E-02 74 0.1721303252E-10 75 0.6375545710E-09 76 0.2195302627E-02 77 0.1427474486E-02 78 0.2476117888E-03 79 0.1942180835E-02 80 -0.8317165686E-09 81 0.5425801404E-01 82 -0.1127407848E-01 83 0.6733410472E-02 84 -0.9364462153E-02 85 0.1198117963E-09 86 -0.3861043400E-01 87 0.3353826824E-01 88 0.5761511513E-02 89 -0.9701323530E-02 90 0.1983243196E-09 91 0.2275131353E-01 92 -0.3422612263E-01 93 0.6523807354E-02 94 0.8587325287E-02 95 0.9767921847E-10 Sym= 1 Ene= 2.04519934470060 Spin= Alpha Occup= 3.266486794988590E-003 1 -0.2164574888E-01 2 -0.5014508959E-01 3 0.5638028420E-01 4 -0.2111527369E-01 5 -0.7057356845E-01 6 0.1192700676E-08 7 0.1824508741E-01 8 0.1421615841E-01 9 -0.6472277122E-08 10 -0.3772821833E-01 11 0.9443471747E-01 12 -0.5670582198E-01 13 0.1227814365E+00 14 -0.1905831458E-09 15 0.1128321549E-08 16 0.1257286401E-01 17 0.5361310151E-01 18 0.3163618481E+00 19 -0.5556072584E-01 20 0.2161335576E-01 21 -0.2689737489E-08 22 0.2924792806E-03 23 0.7179678175E-01 24 0.4440042029E-08 25 0.7367151855E-01 26 -0.7597580344E-01 27 0.2304293134E-02 28 -0.7765831905E-03 29 -0.4892884679E-09 30 -0.6513946911E-09 31 -0.2580181952E-01 32 -0.1028421819E+00 33 0.3895003490E-01 34 0.5589757534E-01 35 -0.1648322545E-01 36 -0.5504808778E-08 37 -0.2565567324E-01 38 -0.3628573421E-01 39 0.5480086177E-08 40 -0.4410072949E-02 41 0.1949562696E-01 42 -0.1508493898E-01 43 -0.2155461021E-01 44 0.1712138970E-08 45 0.9485602717E-09 46 -0.2071248654E+00 47 -0.9733259981E+00 48 0.2511990508E+00 49 0.7831494917E+00 50 -0.4566588921E+00 51 0.4890845577E-08 52 -0.1148507147E+00 53 0.6755944651E+00 54 -0.3707007829E-08 55 -0.5481858697E+00 56 0.3176412736E+00 57 0.2305444485E+00 58 0.9401131748E-01 59 0.1300435277E-09 60 0.1632470533E-09 61 0.4346613191E-02 62 0.1461759577E-01 63 0.1115164829E-01 64 0.2169161939E-01 65 0.3098976070E-01 66 -0.4464146667E-08 67 -0.2357346381E-01 68 -0.3518863616E-01 69 0.7193051096E-08 70 -0.2388709871E-01 71 0.2527602244E-01 72 -0.1388971738E-02 73 -0.1110331135E-01 74 -0.8076898274E-09 75 -0.2358431097E-09 76 -0.9104105426E-01 77 0.4054548898E-01 78 -0.1216291646E-01 79 0.4400571114E-01 80 -0.8040388575E-09 81 0.1663596993E+01 82 -0.1358541448E+01 83 0.5015938380E+00 84 -0.1223993431E+01 85 -0.1493923797E-09 86 -0.1062602036E+00 87 0.1161033394E+00 88 -0.2160332935E-01 89 0.1847195585E-01 90 -0.2731459109E-08 91 -0.1620491530E-01 92 -0.4276465261E-01 93 0.1351074517E-01 94 -0.5503170823E-02 95 0.6192451252E-09 Sym= 1 Ene= 0.639419690114726 Spin= Alpha Occup= 2.987246026373980E-003 1 0.1022567883E-02 2 0.1559396946E-02 3 0.4428636460E-01 4 0.1018227001E-01 5 0.2455168576E-02 6 0.6060885557E-09 7 -0.4076303133E-01 8 -0.2107975790E-01 9 -0.1435076406E-08 10 0.1543095055E-02 11 0.1163388757E-02 12 -0.2706367952E-02 13 -0.3858304088E-02 14 -0.3421350733E-09 15 -0.1837516394E-09 16 -0.2445304103E+00 17 -0.1459443831E+01 18 0.8951546626E+00 19 0.9969994314E+00 20 0.8614117117E+00 21 0.3065897528E-08 22 -0.7562916126E+00 23 -0.5807540998E+00 24 -0.4125712923E-08 25 -0.7303033331E-01 26 -0.9159819873E-02 27 0.8219020854E-01 28 -0.1973290455E+00 29 -0.1943541681E-09 30 -0.1345847930E-08 31 -0.1895834902E-01 32 -0.8591967341E-01 33 0.2429736325E+00 34 0.3190916750E-01 35 -0.1726936032E-01 36 -0.1006065353E-08 37 -0.6844949900E-01 38 0.1187862789E+00 39 -0.9118368115E-09 40 0.1083168918E-01 41 0.2071705051E-02 42 -0.1290354905E-01 43 0.1166743057E-01 44 -0.2078165952E-09 45 0.2479869340E-09 46 -0.1119875634E-01 47 -0.5159597306E-01 48 0.7662627802E-02 49 -0.3165316899E-02 50 0.5136624621E-01 51 -0.1957301686E-08 52 0.1110707722E-01 53 -0.4526623077E-01 54 0.6327724868E-08 55 0.9992166788E-02 56 -0.2384326864E-02 57 -0.7607812757E-02 58 -0.4466730226E-02 59 -0.2181216010E-09 60 -0.4910129740E-09 61 0.3629145202E-02 62 0.1814267420E-01 63 -0.7486442840E-01 64 -0.7364655100E-02 65 -0.3211776973E-02 66 -0.9290224782E-09 67 0.4303289751E-01 68 0.3500412126E-01 69 0.1401158327E-08 70 0.4744680103E-02 71 -0.7687592624E-02 72 0.2942864464E-02 73 0.2966898557E-02 74 -0.7643180824E-10 75 0.1038071618E-09 76 -0.4317277437E-02 77 0.1224118338E-01 78 0.2624660555E-02 79 0.2904240065E-02 80 0.6222810072E-09 81 -0.2117545151E-01 82 -0.8067937780E-02 83 -0.2862443539E-02 84 -0.6902708400E-05 85 -0.4035768301E-09 86 0.1109683510E+01 87 -0.3334488007E+00 88 -0.3883041144E-01 89 -0.1630115929E-01 90 -0.1277199736E-08 91 0.2440862648E-02 92 0.2227123233E-01 93 0.2954627304E-03 94 -0.4464333183E-02 95 0.1983113785E-09 Sym= 1 Ene= 1.62985575121560 Spin= Alpha Occup= 2.839784555646940E-003 1 -0.1447349956E+00 2 -0.7829670522E+00 3 0.8268565570E+00 4 -0.1197408856E+00 5 0.3546019809E-01 6 0.2662498846E-08 7 -0.9090000267E-01 8 -0.7426015552E+00 9 -0.9960545877E-09 10 -0.5195107165E+00 11 -0.6246276181E+00 12 0.1144137859E+01 13 -0.3207367588E-01 14 -0.2501671940E-09 15 -0.1154189081E-08 16 0.3443959387E-02 17 0.2234054252E-01 18 0.7813804710E-01 19 0.1420320583E-02 20 0.1208686158E-01 21 0.1582555476E-08 22 0.1518054441E+00 23 -0.4514823332E-01 24 -0.4443057960E-08 25 0.1827815463E-01 26 -0.2881081851E-02 27 -0.1539673486E-01 28 0.3552510009E-01 29 -0.6560369506E-09 30 -0.1085181724E-08 31 0.1139394357E-02 32 0.3847356985E-02 33 -0.2156916759E+00 34 0.3518065033E-02 35 -0.7856111497E-02 36 0.1782487282E-09 37 0.4197018038E-01 38 -0.7384361964E-01 39 0.2082287029E-08 40 -0.1809102812E-01 41 0.1197535508E-01 42 0.6116661461E-02 43 -0.3704404520E-01 44 -0.6070419071E-09 45 0.1273218124E-09 46 0.1626845393E+00 47 0.6910572039E+00 48 -0.8670168150E+00 49 0.3371133409E+00 50 0.1628798845E+00 51 0.1288733974E-08 52 -0.4911331592E+00 53 -0.1096435211E+00 54 0.5469783578E-09 55 0.7190144218E-01 56 0.5728593490E-01 57 -0.1291873022E+00 58 0.3966276883E-01 59 0.5338464284E-10 60 0.2734121938E-09 61 0.1228247290E+00 62 0.5231289339E+00 63 -0.5326847674E+00 64 -0.2884210879E+00 65 0.2370196820E+00 66 0.7815550359E-09 67 0.3086109722E+00 68 -0.1424887793E+00 69 -0.9561009953E-09 70 0.9929665960E-01 71 0.1315711460E+00 72 -0.2308678591E+00 73 -0.4360442464E-01 74 0.5825445872E-09 75 0.5217360772E-09 76 0.1042861848E+01 77 -0.4063121380E+00 78 -0.1168427022E-01 79 -0.2134141427E+00 80 -0.2327085579E-09 81 -0.5635842878E-01 82 0.2854101414E-01 83 -0.7608840272E-02 84 0.1702492132E-01 85 0.1904568370E-09 86 -0.7804820670E-03 87 -0.4314032038E-02 88 -0.1408925378E-01 89 -0.2661850611E-02 90 0.3461282654E-09 91 0.4551668532E-02 92 -0.5949787688E-01 93 0.1067004984E-02 94 -0.4354378079E-03 95 -0.2955823684E-12 Sym= 1 Ene= 0.715174455496687 Spin= Alpha Occup= 2.632603626158290E-003 1 0.2207954675E-01 2 0.2154780246E-01 3 0.4832999628E-01 4 -0.1043266896E-01 5 -0.2506225544E-01 6 0.5863181923E-09 7 0.2764095878E-01 8 0.2251302881E-01 9 0.1647369871E-09 10 -0.5200689255E-01 11 -0.2203804413E-03 12 0.5222619039E-01 13 0.1938254845E-02 14 0.5979058849E-09 15 -0.6202938946E-10 16 0.8517454817E-01 17 0.3559967544E+00 18 0.2082416851E-01 19 -0.7140485640E-02 20 -0.3430476683E+00 21 -0.7635153330E-10 22 0.1629667205E-01 23 0.1710689945E+00 24 -0.8953757446E-09 25 0.2923267055E+00 26 -0.2677571617E+00 27 -0.2456948598E-01 28 0.8182678172E+00 29 -0.1614758900E-09 30 0.8789804210E-10 31 0.1021534313E-01 32 -0.3419533613E-02 33 -0.5984677006E-01 34 -0.2265379713E-01 35 -0.4720577050E+00 36 -0.7135196555E-09 37 0.1191198851E+00 38 0.6898404104E-01 39 0.1050613237E-10 40 -0.1673342782E+00 41 0.1471667738E+00 42 0.2016755085E-01 43 -0.7281070921E+00 44 -0.3683840039E-09 45 0.4187709986E-09 46 0.1144313791E+00 47 0.4734679836E+00 48 -0.4293918097E+00 49 0.4291074889E-02 50 -0.3387473202E+00 51 0.1621161366E-08 52 -0.2075595191E+00 53 0.2883950721E+00 54 -0.1567841812E-10 55 -0.7881269168E-01 56 0.7459142674E-01 57 0.4220862157E-02 58 0.2659154244E+00 59 -0.4665569893E-10 60 -0.1649386542E-09 61 0.6829022235E-01 62 0.3161700947E+00 63 -0.6050412428E-01 64 -0.7235912049E-01 65 -0.3197805945E+00 66 -0.1365734309E-08 67 0.1465201510E+00 68 0.1312421984E+00 69 0.6877064794E-09 70 -0.1448269811E+00 71 0.1723872493E+00 72 -0.2756025662E-01 73 -0.4602962849E-01 74 -0.6632798458E-10 75 -0.7173984192E-09 76 0.3606188857E-02 77 -0.3158656034E-01 78 -0.6546325875E-03 79 -0.1280984378E-02 80 -0.6722225278E-09 81 0.8651776357E-01 82 -0.7904386003E-01 83 0.6031195080E-01 84 0.6416227980E-03 85 -0.4635234945E-09 86 -0.7471323795E+00 87 0.4656908371E+00 88 -0.1127026904E+00 89 -0.1830005143E+00 90 -0.3025139100E-09 91 -0.6372913623E+00 92 0.3186917353E+00 93 0.1404972895E-01 94 -0.1597197451E+00 95 0.1947476290E-08 Sym= 1 Ene= 1.58076884523767 Spin= Alpha Occup= 2.373927271912810E-003 1 -0.3598175329E-01 2 -0.9900377349E-01 3 0.6815059774E+00 4 -0.1100618825E+00 5 -0.9199781061E-01 6 0.6613735070E-09 7 -0.2175392989E+00 8 -0.8208295411E+00 9 -0.1714373772E-08 10 -0.9523524543E-01 11 0.1259105979E+00 12 -0.3067544109E-01 13 -0.1945546009E-01 14 0.5839199928E-09 15 -0.6614123600E-10 16 -0.3324052295E-01 17 -0.1200710653E+00 18 0.4392981332E+00 19 0.1546955871E-01 20 0.2625998563E-01 21 -0.8694834460E-09 22 0.2954571253E+00 23 -0.1238396958E-01 24 0.1733930766E-08 25 0.4339733471E-01 26 -0.3390521696E-01 27 -0.9491534882E-02 28 0.8659977642E-01 29 -0.4399700336E-09 30 -0.4083280806E-09 31 0.5382701006E+00 32 0.2336775125E+01 33 -0.1723680811E+01 34 0.6865875330E+00 35 0.1243557090E+01 36 -0.1840215158E-08 37 -0.1359121813E+00 38 -0.1129916083E+01 39 -0.1048852117E-08 40 -0.1665582560E-01 41 -0.4165343840E-01 42 0.5830944260E-01 43 0.1157109197E+00 44 -0.1020683285E-08 45 -0.4053402422E-09 46 -0.2660065660E-01 47 -0.8984682445E-01 48 -0.1485701305E+00 49 -0.8631900318E-02 50 0.2202661185E-01 51 -0.4735970264E-09 52 -0.1291599749E+00 53 -0.1560606989E+00 54 0.1318908243E-08 55 0.3790930480E-01 56 0.1791037725E-01 57 -0.5581940311E-01 58 -0.4244583604E-01 59 0.6347975174E-09 60 0.4173526830E-09 61 0.4072740471E+00 62 0.1588708138E+01 63 -0.2575904477E+01 64 -0.2759818706E+00 65 -0.6229894094E+00 66 -0.7309632964E-09 67 0.1110681217E+01 68 0.1708332996E+01 69 0.1452137227E-08 70 -0.1825423818E-01 71 -0.3399248561E+00 72 0.3581789894E+00 73 -0.4498801063E+00 74 0.1111935421E-09 75 -0.5717437671E-09 76 0.1031813606E+00 77 0.1722255317E+00 78 -0.1232554450E-01 79 0.2860632700E-01 80 -0.2513466324E-09 81 -0.2205043218E-01 82 -0.6313964703E-01 83 -0.1269035724E-01 84 0.2712718241E-01 85 0.2291209517E-09 86 -0.2122288628E-01 87 -0.3114799886E-01 88 -0.3283804355E-01 89 -0.4467734542E-02 90 -0.1202155213E-08 91 -0.1851125690E-01 92 -0.4762479107E-01 93 -0.1887332138E-01 94 0.2886371874E-01 95 -0.2052682597E-10 Sym= 1 Ene= 2.62497115457353 Spin= Alpha Occup= 2.296367731274120E-003 1 -0.1125265842E+00 2 -0.4787092943E+00 3 0.3026032679E+00 4 0.1206064352E+00 5 -0.3592892443E+00 6 0.3816773519E-09 7 -0.3304859179E+00 8 -0.4983089189E+00 9 0.1516639019E-08 10 0.1490941450E+01 11 -0.1603490276E+01 12 0.1125483737E+00 13 -0.2699574317E+00 14 -0.7647123026E-09 15 -0.1319053850E-08 16 -0.2243574630E-02 17 0.2349762762E-01 18 -0.4873349226E+00 19 -0.6013366372E-01 20 0.4073318414E-01 21 0.1562833864E-08 22 -0.5921234351E-01 23 -0.1389868008E+00 24 0.5067017365E-09 25 -0.4205588277E-01 26 0.6626837851E-01 27 -0.2421227056E-01 28 -0.7962512805E-01 29 0.4723194346E-10 30 0.8318238904E-10 31 -0.2572003623E-01 32 -0.2949587037E-01 33 0.7407990891E-01 34 0.7036102311E-01 35 0.5559528430E-02 36 0.8310957737E-09 37 -0.1391991319E+00 38 0.2867018768E-01 39 -0.2685794037E-09 40 0.2696093381E-01 41 0.6236338502E-01 42 -0.8932425104E-01 43 0.3099397730E-01 44 0.2106169438E-09 45 0.2077476215E-09 46 -0.9024347452E-01 47 -0.3797894550E+00 48 0.2497542255E-01 49 -0.2681691193E+00 50 -0.2283979083E+00 51 0.1939176593E-08 52 0.1092573230E+00 53 -0.3219117390E+00 54 -0.4501747413E-08 55 0.3603775731E+00 56 -0.3401510826E+00 57 -0.2022594452E-01 58 -0.3593123384E+00 59 -0.8923478461E-10 60 -0.2587656082E-09 61 -0.6280519440E-01 62 -0.2592946849E+00 63 -0.1237428776E-01 64 -0.5443013477E-01 65 -0.2838434315E+00 66 0.5987119718E-09 67 -0.1190698535E+00 68 -0.1600800715E+00 69 -0.1827150332E-08 70 0.5248210326E+00 71 -0.5180541285E+00 72 -0.6766841486E-02 73 0.8361955078E-01 74 0.2544157727E-09 75 -0.2286135843E-10 76 0.2271261253E+01 77 -0.1078505685E+01 78 -0.1929153821E+00 79 -0.4742979667E+00 80 0.2646163865E-09 81 -0.1446421847E+00 82 0.1199227194E+00 83 -0.3777263133E-01 84 0.1278658420E+00 85 0.1848360797E-08 86 0.9229199722E-01 87 -0.6300108209E-01 88 0.9249172942E-02 89 0.2343807099E-01 90 0.3643330833E-09 91 -0.4309254841E-01 92 0.4646058744E-01 93 0.2338454851E-01 94 -0.1007006338E-01 95 -0.1420236548E-09 Sym= 1 Ene= 1.22376215888308 Spin= Alpha Occup= 2.233723080699090E-003 1 -0.5881561972E-01 2 -0.2022301092E+00 3 0.3437145340E+00 4 0.1490925032E-01 5 0.7035663777E-02 6 -0.2045648685E-08 7 -0.1668582028E-01 8 -0.2192583594E+00 9 0.3049614270E-08 10 -0.2066499233E-01 11 0.2196537264E-01 12 -0.1300132691E-02 13 -0.6463853412E-02 14 -0.6346346376E-09 15 0.2979048443E-09 16 0.1176862375E+00 17 0.4610692927E+00 18 -0.2090671605E+00 19 0.6019635440E-01 20 -0.2836078160E-01 21 -0.1498717189E-08 22 -0.1295261799E+00 23 0.5020600963E+00 24 0.2218325288E-08 25 0.8283091800E-01 26 -0.7184524479E-01 27 -0.1098605480E-01 28 0.2337489858E+00 29 0.1733834751E-08 30 0.1387211600E-08 31 0.5505497143E-01 32 0.3237462180E+00 33 0.4151420075E+00 34 0.3795370681E+00 35 -0.5215112970E+00 36 -0.5886556977E-10 37 0.5535847571E+00 38 -0.1326290141E+01 39 -0.1674848615E-08 40 -0.3194824494E-01 41 0.1386082308E+00 42 -0.1066598049E+00 43 -0.1170475174E+00 44 0.1538425253E-08 45 -0.9024941161E-09 46 0.3420291010E-02 47 0.1650623393E-01 48 -0.1373809113E+00 49 -0.1665037730E-02 50 -0.3575031917E-01 51 0.1078747622E-08 52 0.7406022096E-01 53 -0.9633966464E-02 54 -0.4204731844E-08 55 -0.2573758815E-01 56 0.2514095195E-01 57 0.5967607654E-03 58 0.4623334123E-01 59 -0.8125692894E-09 60 0.4954358289E-09 61 0.2343064517E-01 62 0.9450846201E-01 63 0.1223160692E+00 64 0.4272599942E-01 65 0.1054307483E-01 66 -0.4431845522E-09 67 -0.3285434504E+00 68 0.7936022661E-01 69 0.5838919650E-09 70 0.4389289715E-01 71 -0.6368830804E-01 72 0.1979533164E-01 73 0.6818989019E-01 74 -0.5145196042E-09 75 -0.1305535473E-09 76 0.2190357706E-01 77 0.3479124904E-01 78 -0.3386465402E-02 79 0.1684168864E-01 80 -0.1112011600E-08 81 0.8198732544E-01 82 -0.8964396478E-01 83 0.1640011981E-01 84 0.3894467515E-02 85 0.3903900671E-09 86 -0.1642754802E+00 87 0.1596876852E+00 88 -0.2073120875E-01 89 -0.6832503149E-01 90 0.9674574879E-09 91 -0.3031612952E+01 92 0.1594571634E+01 93 0.2089746870E+00 94 -0.5577279948E+00 95 -0.6691112784E-09 Sym= 1 Ene= 1.45812996988532 Spin= Alpha Occup= 2.105373523575060E-003 1 -0.1430828292E+00 2 -0.4682484044E+00 3 0.6544371322E+00 4 0.7582074795E-02 5 0.3678074438E-01 6 0.8357599969E-09 7 -0.1610224106E+00 8 -0.4943392966E+00 9 -0.4730932312E-08 10 -0.5033180282E-01 11 0.1132977788E+00 12 -0.6296621268E-01 13 0.4859930548E-01 14 -0.1746175853E-08 15 0.3225745632E-09 16 0.5148392536E+00 17 0.2057520608E+01 18 -0.2412293765E+01 19 0.8315807473E+00 20 -0.1145723292E+00 21 0.2933774722E-08 22 -0.1662172262E+01 23 0.1833405901E+00 24 -0.6381818156E-08 25 -0.4872398090E+00 26 -0.4373918788E-01 27 0.5309785890E+00 28 -0.1310254550E+00 29 -0.2510593035E-08 30 -0.4024101530E-09 31 0.5114857205E+00 32 0.2064029122E+01 33 -0.1999523723E+01 34 -0.8964967864E+00 35 0.1163969160E+00 36 0.6459069050E-09 37 0.1125351547E+01 38 -0.6046934822E+00 39 0.3439469150E-08 40 -0.3388291184E+00 41 -0.1828528525E+00 42 0.5216823762E+00 43 0.1629829366E+00 44 -0.2568875291E-08 45 0.1926429198E-08 46 -0.2664985008E-01 47 -0.7587622035E-01 48 0.2318687718E+00 49 -0.3029524052E-01 50 -0.7866173601E-01 51 -0.1637868866E-09 52 0.2932634958E+00 53 0.1861487615E-01 54 0.1840610757E-08 55 0.4921344097E-01 56 -0.6671153086E-02 57 -0.4254231854E-01 58 -0.1125384813E+00 59 0.2532172437E-09 60 -0.1033495997E-09 61 -0.4987454873E-01 62 -0.1540873758E+00 63 0.5642615750E+00 64 -0.1993103116E-01 65 -0.6296983971E-01 66 -0.2601075403E-08 67 -0.3019957873E+00 68 -0.4048606990E-01 69 0.4944595028E-08 70 0.6079997025E-01 71 0.6119968480E-02 72 -0.6691967386E-01 73 0.3189632700E-01 74 -0.5307979370E-09 75 0.2309768898E-09 76 -0.1552648807E-01 77 0.1682830245E+00 78 0.1574338132E-01 79 0.2506425196E-01 80 0.1939883876E-08 81 0.1942767606E-01 82 -0.1767081239E+00 83 -0.3778754484E-01 84 0.1741397545E-01 85 0.6907266232E-09 86 0.3803057190E+00 87 -0.1840820905E+00 88 0.1701595856E+00 89 0.3361129002E-01 90 -0.1040693663E-08 91 0.3078579929E+00 92 -0.1416732706E+00 93 -0.1016404064E+00 94 0.7607612638E-01 95 0.1867103507E-08 Sym= 1 Ene= 2.20091057760548 Spin= Alpha Occup= 1.825528948225920E-003 1 -0.2199110098E-01 2 -0.6686555262E-01 3 -0.1649712469E+00 4 0.6562234638E-01 5 0.2094209563E-01 6 0.5461359271E-09 7 -0.3795481774E-01 8 0.1436436367E+00 9 0.1971437676E-09 10 0.6378509073E-01 11 -0.3826311964E-01 12 -0.2552208423E-01 13 -0.3370533071E-01 14 -0.3251805524E-09 15 -0.3106327170E-09 16 -0.1632143622E+00 17 -0.6619590251E+00 18 -0.5428176915E-01 19 -0.4469647974E+00 20 0.6249843578E-01 21 -0.2568847900E-09 22 -0.1305795148E+00 23 -0.2348485983E+00 24 0.3375729833E-08 25 -0.2402069206E+00 26 0.1645825167E+00 27 0.7562445813E-01 28 -0.3613473059E-01 29 -0.2417056603E-09 30 0.5496699568E-11 31 -0.5313708632E-01 32 -0.2316638656E+00 33 0.4567075683E+00 34 -0.2111502576E+00 35 0.1547675576E+00 36 0.1851860119E-08 37 -0.6627765437E-01 38 0.1788060677E+00 39 -0.2699125901E-08 40 0.9024046886E+00 41 -0.9366622465E+00 42 0.3425764087E-01 43 -0.2367842391E+00 44 0.5844769058E-09 45 0.2577362919E-09 46 -0.4595898326E-01 47 -0.1749128471E+00 48 0.3773742429E+00 49 -0.2031656250E-01 50 0.5196927451E-01 51 -0.3282320153E-08 52 0.1216741272E+00 53 -0.1172604305E+00 54 0.5002238195E-09 55 0.2166524328E-01 56 -0.1857981345E-01 57 -0.3085862677E-02 58 -0.2324195892E-01 59 -0.2981439132E-09 60 0.9829862587E-11 61 0.5198707637E-02 62 0.5530185595E-01 63 0.2890720971E+00 64 -0.1535825106E+00 65 -0.1793546451E+00 66 0.1140635238E-08 67 -0.2308814552E+00 68 0.3636507550E-01 69 -0.1833623459E-08 70 0.1740379152E+00 71 -0.9365379875E-01 72 -0.8038411476E-01 73 0.2868296517E+00 74 0.3669680853E-09 75 0.2121299143E-09 76 0.2396947205E-01 77 -0.5360159338E-01 78 0.6390057407E-03 79 -0.9757766473E-02 80 0.2912898474E-10 81 -0.8613003876E-02 82 0.2782487835E-01 83 -0.3128580805E-02 84 0.7244599003E-02 85 0.3405065509E-09 86 0.3280012223E-01 87 -0.1229389858E+00 88 0.1877030447E-01 89 0.6568431670E-01 90 -0.3128866025E-09 91 0.6018269157E+00 92 -0.3291296186E+00 93 -0.1136810848E+01 94 -0.4736447119E+00 95 -0.3473839878E-09 Sym= 1 Ene= 1.39679945471698 Spin= Alpha Occup= 1.676361696330610E-003 1 -0.2181171065E+00 2 -0.5874157967E+00 3 0.8001453301E+01 4 0.2020256314E+00 5 -0.7718453718E-01 6 0.1134072280E-08 7 -0.1984401763E+00 8 -0.5368495159E+01 9 -0.1451980645E-08 10 0.4628919760E+00 11 0.5041040661E+00 12 -0.9669952524E+00 13 -0.8622918956E-01 14 0.1131142011E-08 15 0.4055748375E-09 16 0.3258546120E+00 17 0.1196755274E+01 18 -0.2749149628E+01 19 0.1373870519E-01 20 0.2426197767E+00 21 -0.5278892485E-09 22 -0.9573700842E+00 23 -0.8062553527E+00 24 -0.3540672136E-08 25 -0.1209666679E+00 26 -0.1637206252E-01 27 0.1373389699E+00 28 0.4134081294E-01 29 -0.2186414365E-09 30 0.3968727734E-09 31 0.2104889214E+00 32 0.7853251834E+00 33 -0.3117663962E+00 34 -0.4027037239E-01 35 0.1227074169E+00 36 -0.9488620270E-09 37 -0.9672580304E+00 38 -0.4278774652E+00 39 0.2996467725E-08 40 0.3477837223E-01 41 -0.5606560077E-01 42 0.2128723272E-01 43 -0.8200625797E-01 44 0.7420947846E-09 45 0.2468755507E-08 46 0.3473271678E+00 47 0.1222770634E+01 48 -0.4526416179E+01 49 0.2927674068E-01 50 -0.1559675106E+00 51 -0.2190009493E-08 52 -0.2289560894E+01 53 -0.3825408237E+00 54 0.6392764127E-08 55 -0.2066895138E+00 56 0.1027868895E+00 57 0.1039024547E+00 58 -0.6289752447E-01 59 0.2872462023E-09 60 -0.9889295033E-10 61 0.5194980814E+00 62 0.1884275638E+01 63 -0.6608969799E+01 64 0.1068481598E+00 65 -0.2748329475E-01 66 0.2634208375E-08 67 0.2285427840E+01 68 -0.1760726197E+01 69 -0.5097510662E-08 70 -0.1994026500E+00 71 0.9765650161E-01 72 0.1017463780E+00 73 0.3217838401E+00 74 0.1315278099E-08 75 -0.3784116145E-10 76 -0.3819332827E+00 77 0.1868408170E+01 78 -0.1491410002E-01 79 0.2732641534E+00 80 0.1123586148E-08 81 -0.6394171592E-01 82 -0.1562522103E+00 83 0.2012351835E+00 84 0.9510904324E-01 85 -0.1317439327E-08 86 0.1730417489E-01 87 -0.4207444930E+00 88 0.1452717506E-02 89 0.4238298018E-02 90 0.1167236186E-08 91 0.8358279936E-02 92 0.3279732919E-01 93 0.7017265081E-01 94 -0.4096879049E-02 95 0.4312433101E-09 Sym= 1 Ene= 0.821827460917123 Spin= Alpha Occup= 1.594447687252150E-003 1 0.3916977795E-02 2 0.9099847474E-04 3 0.1507291700E-01 4 0.1399320037E-01 5 0.8657572501E-02 6 -0.1120473670E-08 7 0.2154878023E-01 8 -0.3003605686E-01 9 0.8074367314E-09 10 -0.1499703723E-01 11 0.4214638969E-02 12 0.1078188130E-01 13 -0.1044388510E-01 14 0.1953802301E-09 15 -0.2486329268E-10 16 -0.1770521911E-01 17 -0.5067424360E-02 18 0.2138953634E+00 19 0.1127772638E-01 20 0.4715584940E-01 21 0.3145818664E-09 22 0.1107116831E+00 23 0.1871688768E-01 24 -0.8605090797E-09 25 -0.6597796813E-02 26 0.1328657363E-01 27 -0.6688739588E-02 28 0.1428327678E-01 29 0.3065600178E-09 30 0.3629622347E-09 31 -0.9904113656E-01 32 -0.9075185528E+00 33 0.1745665300E+00 34 -0.5739668231E+00 35 -0.1002201498E+01 36 -0.3959957034E-09 37 0.2723809766E+00 38 0.2706684967E+00 39 0.1329525670E-08 40 0.4003159544E-01 41 -0.7909762835E-01 42 0.3906607299E-01 43 -0.6588441268E-01 44 0.9691981343E-09 45 -0.1571101028E-09 46 -0.3554392038E-02 47 -0.1200172360E-02 48 0.3515267343E-02 49 0.1052425903E-01 50 -0.2758058882E-02 51 -0.3232041875E-08 52 -0.1189487907E-01 53 0.1382027470E-02 54 0.2008431118E-08 55 0.2212979928E-02 56 -0.8394006091E-03 57 -0.1373685774E-02 58 0.6301725615E-02 59 -0.1447436277E-09 60 0.1606067009E-09 61 0.1379771675E+00 62 0.9619499912E+00 63 -0.3898727178E+00 64 -0.5675179518E+00 65 -0.1148749812E+01 66 -0.3234861422E-09 67 0.2923902172E+00 68 0.4846760588E+00 69 -0.1880040630E-08 70 -0.2456927789E-01 71 0.6755148643E-01 72 -0.4298221981E-01 73 0.8616946708E-01 74 -0.3074063690E-09 75 0.6408281482E-09 76 0.5633683344E-01 77 -0.1548603339E-01 78 0.2409063890E-03 79 -0.5134841480E-02 80 0.3060942235E-09 81 -0.7550257951E-02 82 -0.3713382584E-02 83 0.3848192637E-03 84 -0.1084799690E-02 85 0.3044098381E-09 86 -0.9768804517E-01 87 0.4132469232E-01 88 -0.1126120267E-01 89 -0.5029658054E-02 90 0.7219489721E-09 91 0.3373534770E-01 92 -0.1962523370E-01 93 -0.1957878141E-01 94 -0.7628548046E-02 95 -0.4261524123E-09 Sym= 1 Ene= 1.97937287997669 Spin= Alpha Occup= 1.332308950312110E-003 1 0.5004794331E-03 2 -0.2191939476E-01 3 -0.3163163454E+00 4 0.2723238124E-01 5 -0.5570745173E-01 6 0.8456677845E-09 7 0.1870757810E+00 8 -0.1244072173E+00 9 0.1039852579E-08 10 0.8911873815E-03 11 -0.1425320555E-01 12 0.1336254953E-01 13 0.8255340657E-01 14 -0.1707750873E-10 15 -0.7850325004E-10 16 0.7018565996E-01 17 0.2439849581E+00 18 -0.5159431625E-01 19 -0.8295132166E-01 20 0.2036671828E-01 21 -0.9095599791E-09 22 0.5503823925E-01 23 0.1504058228E-01 24 -0.4204319251E-09 25 0.1051783179E-01 26 -0.6510127802E-01 27 0.5458348593E-01 28 -0.6508712694E-01 29 0.2099667673E-09 30 0.1731482055E-09 31 -0.8371707521E-02 32 -0.2130719154E-01 33 0.7748449101E-01 34 -0.3113539937E-02 35 0.3879401058E-01 36 0.2582154723E-08 37 -0.4510606160E-01 38 0.3623400993E-01 39 -0.5170832645E-08 40 -0.4294266139E-02 41 0.1999815139E-01 42 -0.1570408057E-01 43 -0.3166899841E-01 44 -0.1041394820E-08 45 -0.5368942231E-09 46 0.1486443704E+00 47 0.7292726983E+00 48 0.7869006992E-01 49 -0.6599419154E+00 50 0.2892078887E+00 51 -0.4607557633E-08 52 0.1264069959E+00 53 0.7590835209E+00 54 0.4095547437E-08 55 0.8893729387E-01 56 0.1636224913E+00 57 -0.2525593393E+00 58 -0.5432091145E+00 59 -0.4701792943E-09 60 -0.2119035838E-11 61 0.9421857200E-02 62 0.3769597050E-01 63 -0.8524684279E-01 64 -0.4221571295E-01 65 0.1515912388E-01 66 0.2038681691E-08 67 0.3688717363E-01 68 0.8606862673E-02 69 -0.1471691485E-08 70 0.7655642479E-03 71 0.2060934653E-02 72 -0.2826437027E-02 73 -0.1706249620E-01 74 0.5254506205E-09 75 0.5105725470E-09 76 0.1879607681E+00 77 -0.1391813767E+00 78 0.2823569530E-01 79 -0.6394938738E-02 80 0.8528731783E-09 81 -0.2212755857E+01 82 0.1511914002E+01 83 -0.1240811274E+01 84 -0.3797181520E+00 85 0.2076168593E-08 86 0.5095325102E-01 87 -0.3809405493E-01 88 -0.1407950211E-01 89 0.3019022843E-01 90 0.1074279028E-08 91 -0.2081231654E-01 92 0.3584615271E-01 93 0.4360760392E-02 94 0.2262500297E-03 95 -0.9453436077E-10 Sym= 1 Ene= 0.676651395847444 Spin= Alpha Occup= 1.186067567062890E-003 1 -0.1942149848E-02 2 -0.1595813241E-01 3 0.4663492318E-01 4 -0.8937892660E-02 5 0.1311182135E-01 6 0.6797212818E-10 7 0.1919094527E-01 8 -0.1574109847E-01 9 0.5520782711E-09 10 0.1098395952E-01 11 -0.8668291985E-02 12 -0.2315741619E-02 13 0.4097001309E-02 14 0.7713852951E-10 15 0.7001525111E-11 16 -0.2607523451E-01 17 -0.1060217048E+00 18 0.1298283824E+00 19 -0.2838924315E-01 20 -0.2620012713E-01 21 -0.4599000591E-09 22 0.4715980168E-01 23 0.6660226118E-01 24 -0.7407704213E-09 25 0.7979571955E-04 26 0.8254402278E-02 27 -0.8334350619E-02 28 -0.1640246904E-01 29 -0.5523633464E-09 30 -0.2248218484E-09 31 -0.2375222436E+00 32 -0.1439429279E+01 33 0.8515418996E+00 34 -0.6831718701E+00 35 0.1131991119E+01 36 -0.2134338055E-08 37 0.4116880502E+00 38 -0.7374797214E+00 39 0.1953468585E-08 40 0.4204828360E-01 41 -0.1181816723E+00 42 0.7613320371E-01 43 0.1507855360E+00 44 -0.3844431818E-09 45 0.3697713851E-09 46 -0.1829182918E-02 47 -0.7134954504E-02 48 -0.1175518197E-01 49 0.2098263538E-02 50 -0.2189054699E-02 51 0.6827783111E-09 52 0.4286713297E-02 53 0.2682792250E-02 54 -0.2936695264E-09 55 -0.1906273427E-02 56 -0.5893647065E-03 57 0.2495673984E-02 58 -0.7353071857E-02 59 0.1193359520E-09 60 -0.4305464362E-09 61 -0.2242963766E-01 62 -0.9128104449E-01 63 0.1077391872E+00 64 0.2065301171E-01 65 0.1723297995E-01 66 0.1130105065E-09 67 -0.2441752660E-01 68 -0.5692303856E-01 69 -0.1465812215E-08 70 0.4935576317E-02 71 0.4535034821E-02 72 -0.9470628238E-02 73 0.3782942964E-02 74 0.7777246483E-10 75 -0.9636010288E-10 76 0.3709980251E-02 77 0.2555334750E-02 78 0.2638447637E-03 79 0.5759556018E-03 80 -0.1421852111E-10 81 0.1521048962E-01 82 -0.9061836430E-02 83 0.6800775579E-04 84 -0.1456803870E-02 85 -0.9324825233E-10 86 0.1018016856E-01 87 0.1165492271E-02 88 -0.6955701717E-03 89 -0.1975267051E-03 90 -0.5468336052E-09 91 0.1251987458E+01 92 -0.3977892812E+00 93 0.1923114317E-01 94 -0.2590013271E-01 95 0.7539573548E-09 Sym= 1 Ene= 2.05892043737960 Spin= Alpha Occup= 1.148441905922810E-003 1 0.1742563454E-01 2 0.7144420682E-01 3 -0.2706813512E+00 4 -0.4788533488E-01 5 0.1259294263E-02 6 0.6191482835E-09 7 0.8269264187E-01 8 0.2612953014E+00 9 -0.2497593993E-09 10 0.7431494210E-01 11 -0.6905624183E-01 12 -0.5258794491E-02 13 -0.9934038385E-02 14 -0.1958415639E-09 15 0.4352422228E-10 16 0.1090236670E+00 17 0.4719676434E+00 18 -0.5359317611E+00 19 -0.2030321252E+00 20 -0.2917774876E+00 21 -0.6794312824E-09 22 0.8363380906E+00 23 0.8183536907E+00 24 0.2436725599E-08 25 0.8465931213E+00 26 -0.8411478692E+00 27 -0.5445137205E-02 28 -0.2742367169E+00 29 0.6603389067E-09 30 0.2246820236E-09 31 -0.1852412419E+00 32 -0.7369490478E+00 33 0.2243710086E-01 34 0.4913228991E+00 35 -0.3587019354E-01 36 -0.3675949517E-09 37 -0.1389478505E+00 38 -0.3196603619E+00 39 -0.2553768700E-08 40 -0.1472356175E+00 41 0.1255518989E+00 42 0.2168435409E-01 43 0.1160658828E+00 44 -0.1447385459E-09 45 0.1037948707E-09 46 0.3444702835E-01 47 0.1756052132E+00 48 0.1494441887E+00 49 0.2596989320E-01 50 -0.1660483097E+00 51 0.5217814851E-09 52 0.1258070048E+00 53 -0.1156914647E+00 54 -0.1741511087E-08 55 -0.3423118946E-01 56 0.1337116980E+00 57 -0.9947989553E-01 58 -0.3001434813E+00 59 0.5719026624E-09 60 -0.2080499871E-09 61 -0.2660271292E-01 62 -0.1044185699E+00 63 0.3095950987E+00 64 0.1077481469E-01 65 0.4220767610E-01 66 0.4818267121E-09 67 -0.3392658192E-01 68 -0.8058887451E-01 69 -0.1726867128E-09 70 0.9609186087E-02 71 -0.2756982636E-01 72 0.1796070824E-01 73 -0.9168518168E-02 74 -0.2212613928E-09 75 0.3355992048E-09 76 0.1453355233E-01 77 -0.9014143763E-01 78 -0.7104093453E-02 79 -0.1604559679E-01 80 -0.2421655650E-09 81 -0.1213306400E+00 82 0.9147848110E-01 83 -0.1258660644E+00 84 -0.1838969112E-01 85 0.7097491353E-09 86 0.4937987287E+00 87 0.2298197064E+00 88 0.5706660214E+00 89 -0.1058823850E+01 90 -0.2707272326E-08 91 -0.6160311131E-01 92 -0.9364463388E-02 93 0.5497143967E-02 94 0.4818531940E-01 95 0.1400447999E-09 Sym= 1 Ene= 0.603224753121719 Spin= Alpha Occup= 1.110079197962340E-003 1 0.3544879695E-01 2 0.1758784264E+00 3 0.9586876035E-01 4 0.2272618167E-01 5 -0.9066401611E-01 6 -0.1185222205E-08 7 -0.2238825119E-01 8 -0.1953788807E-03 9 -0.5675944204E-09 10 -0.8849844698E-01 11 0.6970475556E-01 12 0.1879346326E-01 13 -0.1054723052E-01 14 -0.2240415531E-09 15 0.4849172211E-09 16 0.3525096252E-01 17 0.1728945892E+00 18 -0.1316348545E+00 19 0.2351890476E+00 20 0.7232780625E-01 21 -0.9075892339E-09 22 -0.4462099729E-01 23 -0.5436402413E-01 24 0.8709522474E-09 25 0.1870459506E-01 26 -0.2548161425E-01 27 0.6777152251E-02 28 -0.6780325604E-01 29 -0.5010988728E-09 30 -0.5280011395E-09 31 -0.1388339256E-01 32 -0.4280149922E-02 33 0.4715295493E-02 34 0.1433374427E-01 35 0.2878825332E-01 36 0.6084213996E-11 37 -0.4113407062E-01 38 0.1244241399E-01 39 0.1862361880E-09 40 -0.1517997763E-01 41 0.1465990883E-01 42 0.5198449685E-03 43 -0.8321739349E-01 44 -0.1549311890E-09 45 -0.2280360033E-09 46 0.1781405585E-01 47 0.5883154720E-01 48 -0.1909217808E+00 49 0.3079723744E+00 50 0.1602900977E+00 51 -0.1035875961E-08 52 -0.7108795384E+00 53 -0.2330543719E+00 54 0.1048955651E-08 55 0.6167585603E-01 56 -0.1123197405E+00 57 0.5064369064E-01 58 0.9595287249E+00 59 0.9268316662E-09 60 0.3332580458E-09 61 -0.5337393685E-02 62 -0.1533307593E-01 63 0.3041998342E-02 64 0.1802363033E-01 65 -0.2398998915E-01 66 -0.6879163154E-09 67 -0.2139029479E-01 68 -0.7090831266E-02 69 0.9937307183E-09 70 -0.5805370231E-02 71 0.2014640095E-01 72 -0.1434093436E-01 73 0.7012623482E-02 74 -0.3072689285E-09 75 0.4932199599E-09 76 -0.6135179368E-01 77 0.2775964492E-01 78 0.2868980608E-02 79 0.1163851208E-01 80 0.4092280719E-09 81 -0.5210947593E-01 82 -0.7523287520E-02 83 0.1235263199E+00 84 -0.5300862498E-01 85 0.2168324331E-09 86 -0.3554977863E-01 87 -0.2184994963E-01 88 0.2322938103E-01 89 -0.1088145884E-01 90 0.1955466463E-09 91 -0.6549658381E-01 92 0.2407584161E-01 93 0.2371052801E-02 94 -0.1740085462E-01 95 -0.3113281395E-09 Sym= 1 Ene= 1.19772685563411 Spin= Alpha Occup= 1.084495073780830E-003 1 -0.7501115239E-01 2 -0.2774232119E+00 3 -0.4213329213E+00 4 0.1038947745E+00 5 0.2117887217E-01 6 -0.2998528465E-08 7 0.8365341289E-01 8 0.5557175623E+00 9 -0.1474299517E-08 10 0.5470655329E-01 11 -0.5335731587E-01 12 -0.1348775709E-02 13 -0.1022932673E+00 14 0.5169692026E-09 15 0.3372787363E-09 16 -0.5094774535E-01 17 -0.1847650574E+00 18 -0.5884689203E+00 19 0.4471197140E-01 20 -0.5875359626E-01 21 -0.1553539545E-09 22 -0.8906037834E+00 23 -0.4442011341E+00 24 -0.3033246936E-08 25 0.5909476825E-01 26 -0.4298887824E-01 27 -0.1610615719E-01 28 -0.9119277494E-01 29 0.1093844597E-08 30 -0.8568074441E-09 31 0.4309139646E-02 32 -0.2500620878E-02 33 0.7034875213E+00 34 0.1473714895E-01 35 0.6707533607E-01 36 -0.4900740238E-09 37 -0.2414271515E+00 38 0.8885372797E-01 39 -0.3165048743E-08 40 -0.4109155005E-01 41 -0.2194570590E-01 42 0.6303765300E-01 43 0.6347494158E-01 44 0.1593461341E-08 45 0.4169301713E-09 46 0.1712687291E-01 47 -0.8541058067E-02 48 -0.1307938696E+01 49 0.1827914387E+00 50 -0.1273545681E+00 51 -0.3375057142E-08 52 0.2312461612E+01 53 -0.1053046438E+01 54 0.6267779145E-08 55 -0.2575360323E+00 56 0.7539409949E-01 57 0.1821417266E+00 58 0.3072542277E+00 59 0.2072208114E-09 60 -0.5127595592E-09 61 0.1346022649E-01 62 0.3689845700E-01 63 0.1638336147E-01 64 -0.3216877769E-01 65 -0.3836528565E-01 66 -0.8846706325E-08 67 0.1426598593E+00 68 0.1191282498E+00 69 0.1389216562E-07 70 -0.5235022896E-01 71 -0.1180273203E-01 72 0.6415285969E-01 73 -0.3222157239E-02 74 -0.1447968759E-08 75 -0.2095016799E-08 76 0.6906656690E-01 77 -0.3946207947E+00 78 0.5590799409E-01 79 -0.7013813059E-01 80 -0.1397205806E-08 81 0.1494164112E+01 82 0.1740739658E+01 83 0.1043345500E+01 84 -0.5720527715E+00 85 -0.6292915427E-10 86 -0.2969001506E-01 87 -0.5781403893E+00 88 0.8872029586E-01 89 -0.4412599405E-01 90 -0.2956731013E-09 91 0.3353324446E-01 92 0.7312799070E-01 93 -0.1393809130E-01 94 0.4892663162E-01 95 0.1334704382E-08 Sym= 1 Ene= 1.31720661534044 Spin= Alpha Occup= 1.065773137758910E-003 1 -0.7021215722E-01 2 -0.2704894209E+00 3 0.4338185152E+00 4 0.2490135925E-01 5 0.6069727108E-01 6 -0.5268450120E-09 7 0.6096098351E-01 8 0.2930207073E+00 9 -0.6846092307E-09 10 0.5881989322E-01 11 -0.5013827042E-01 12 -0.8681940025E-02 13 0.9814682573E-01 14 0.8990053827E-09 15 -0.1484230335E-08 16 0.1661240835E+00 17 0.5587595698E+00 18 -0.3667931727E+01 19 -0.5518871778E-01 20 0.1462725884E-01 21 0.5688052386E-09 22 -0.2003636293E+01 23 0.1768836466E+01 24 0.2931140032E-08 25 -0.2575521541E+00 26 0.4800471104E-01 27 0.2095472539E+00 28 -0.5550854169E-01 29 -0.1964714112E-09 30 0.4120446192E-09 31 -0.4707994726E-01 32 -0.2318946537E+00 33 0.4360183081E-01 34 -0.2280693513E+00 35 -0.3181323069E+00 36 0.3181705934E-08 37 -0.3928049105E+01 38 -0.2624253838E+01 39 -0.8312629281E-08 40 0.2274746824E+00 41 -0.4387630476E+00 42 0.2112881115E+00 43 -0.4037737528E+00 44 -0.2551679662E-09 45 -0.2082380971E-09 46 0.6575739988E-01 47 0.2360823951E+00 48 -0.8126691391E+00 49 -0.7978982658E-01 50 -0.3972541714E-01 51 0.5867076346E-09 52 0.4460675206E+00 53 0.2641012162E+00 54 -0.1179157644E-08 55 -0.1482179098E-01 56 -0.2063748766E-01 57 0.3545923769E-01 58 -0.5497263777E-01 59 -0.5043933667E-09 60 0.2053700800E-09 61 -0.5708425999E+00 62 -0.2115300532E+01 63 0.6084458072E+01 64 -0.2555269853E+00 65 0.1621312794E+00 66 -0.2463758605E-08 67 -0.2487594883E+00 68 -0.2464261917E+01 69 0.3239063566E-08 70 -0.8980497286E-01 71 0.2708893136E+00 72 -0.1810840248E+00 73 0.1677817599E+00 74 -0.1452123592E-09 75 -0.8314900133E-09 76 -0.1246942018E+00 77 -0.3175499221E-01 78 0.5379235564E-01 79 -0.3995605796E-01 80 -0.3823182800E-09 81 0.2668191863E+00 82 -0.3599756668E+00 83 -0.2588021775E-01 84 0.2581836130E-01 85 0.1883910749E-09 86 0.5934203708E+00 87 -0.3460437301E+00 88 0.1824727868E+00 89 -0.6993956880E-01 90 -0.1498488889E-08 91 -0.7260575699E-01 92 0.2229105290E+00 93 0.3871706105E+00 94 0.2324998495E+00 95 0.1107194836E-08 Sym= 1 Ene= 1.00214472235595 Spin= Alpha Occup= 1.003672586669940E-003 1 0.1429269846E-01 2 0.6592516488E-01 3 -0.1341775128E+00 4 0.5567787675E-01 5 0.2216244367E-01 6 0.3409688039E-08 7 -0.1139475293E+00 8 0.1301476507E+00 9 -0.2686238661E-08 10 -0.3746917644E-01 11 0.2583027378E-01 12 0.1163915344E-01 13 0.1640201394E-01 14 -0.1428254123E-09 15 0.3695377667E-09 16 0.8580911610E-02 17 0.1052292472E-01 18 -0.1540568843E+00 19 0.3289891800E-02 20 -0.3112799005E-01 21 -0.5550837456E-09 22 -0.3569369433E-01 23 0.1565025247E+00 24 0.6863470461E-08 25 -0.1052258830E-01 26 -0.1229499703E-02 27 0.1175217565E-01 28 -0.2394996160E-01 29 0.6038872523E-09 30 -0.5721629685E-09 31 0.6196278348E-02 32 0.3378859427E-01 33 -0.5562706927E-01 34 0.6382806155E-01 35 0.2662221603E-02 36 0.3874380271E-08 37 -0.1101867391E+00 38 -0.1797746808E+00 39 -0.1023222394E-07 40 -0.6823494380E-02 41 0.1762507596E-02 42 0.5061292004E-02 43 -0.3758902818E-01 44 0.1087724720E-08 45 -0.5945761322E-09 46 0.2891843885E-01 47 0.9760624055E-01 48 -0.2418362655E+00 49 0.9272180455E-03 50 0.2998967397E-01 51 0.6120636415E-09 52 0.5393779912E-02 53 -0.6803283586E-01 54 -0.4032949122E-08 55 -0.1245891585E-01 56 0.1390946330E-01 57 -0.1450459336E-02 58 0.5067832847E-02 59 0.2641256385E-10 60 0.3733957818E-10 61 0.4153160158E+00 62 0.2122095160E+01 63 -0.1933560051E+01 64 0.1009162685E+01 65 0.1617017053E+00 66 0.3287518672E-08 67 -0.1288387959E+01 68 -0.2198081826E+00 69 -0.1307211585E-08 70 0.7571960001E-01 71 -0.3855339791E-01 72 -0.3716632062E-01 73 0.2011835542E-01 74 0.1810572275E-09 75 -0.4281850011E-09 76 0.3887480185E-01 77 -0.3227775508E-01 78 0.1735015643E-01 79 0.1017138601E-01 80 -0.4707886554E-09 81 0.4086516874E-01 82 0.2660412395E-01 83 0.1358301291E-02 84 -0.7710821336E-02 85 -0.1097679295E-09 86 0.6218109395E-01 87 0.4101981472E-01 88 0.8441149895E-02 89 0.7199293904E-02 90 -0.4529860578E-09 91 0.5029484756E-01 92 -0.2551229472E-01 93 0.2149992168E-01 94 -0.1802386855E-02 95 -0.4893627956E-09 Sym= 1 Ene= 1.76124463565289 Spin= Alpha Occup= 9.891813051140039E-004 1 -0.7480688630E-01 2 -0.3077730671E+00 3 0.4332879983E+00 4 0.4394201141E-01 5 0.4843687676E-01 6 0.4827975571E-09 7 -0.1628449030E-01 8 -0.3646327574E+00 9 0.8277964360E-09 10 0.4347056706E-01 11 -0.5726880033E-02 12 -0.3774393146E-01 13 -0.5560223985E-01 14 -0.1054038664E-09 15 -0.7870500473E-10 16 0.5423029174E-01 17 0.1969082694E+00 18 -0.3855601871E+00 19 0.3278449939E-01 20 0.2753253979E-01 21 -0.1582859966E-08 22 -0.2065622851E+00 23 -0.1316001530E+00 24 0.1279969217E-08 25 -0.2719008975E-01 26 0.1112961776E-01 27 0.1606022421E-01 28 -0.4394772046E-01 29 0.2091750772E-09 30 0.1418037812E-09 31 0.6048023384E-02 32 0.2057459923E-01 33 -0.2152664975E-02 34 0.5225442343E-01 35 0.1736728377E-01 36 -0.1560537580E-08 37 -0.4824909888E-01 38 0.6721094485E-02 39 0.4927203375E-09 40 0.3647382070E-01 41 -0.9499717360E-02 42 -0.2697378586E-01 43 0.2897868051E-01 44 0.5550170402E-09 45 0.1500771722E-09 46 0.2989721009E-01 47 0.1118463565E+00 48 -0.2246014450E+00 49 0.3251511609E-01 50 0.1169295620E-01 51 0.4023745605E-09 52 -0.1753408056E+00 53 -0.1137737211E-01 54 -0.1404095295E-08 55 -0.7469829010E-02 56 -0.4529358922E-02 57 0.1199933573E-01 58 0.6413979601E-03 59 -0.2199487392E-09 60 -0.1045163537E-09 61 -0.1599170288E+00 62 -0.6994929425E+00 63 0.6443818415E+00 64 0.3371676164E+00 65 -0.5890009143E-01 66 0.1574503191E-08 67 -0.5465983399E+00 68 0.3921651928E-01 69 -0.1772555760E-08 70 -0.3389502293E+00 71 -0.5726076579E+00 72 0.9115579791E+00 73 0.6044019319E-01 74 -0.2841053463E-08 75 -0.4437922350E-09 76 0.4981193530E-01 77 0.1177957014E+00 78 -0.2522026553E-02 79 -0.7296791231E-02 80 -0.1179302279E-09 81 -0.3303756623E-01 82 -0.1765437634E-02 83 0.4721534282E-02 84 0.1062320773E-01 85 0.6128715235E-09 86 0.4556082452E-01 87 -0.9267247031E-01 88 0.1322005559E-01 89 0.1346499049E-01 90 0.7181263795E-09 91 0.2664822957E-01 92 0.5482889290E-01 93 -0.1009592070E-01 94 0.5205125392E-02 95 -0.1066967056E-09 Sym= 1 Ene= 1.07167731124861 Spin= Alpha Occup= 9.763779907608049E-004 1 0.5894123572E-01 2 0.2265654985E+00 3 -0.3689793555E+00 4 -0.1785501617E-01 5 -0.3517807049E-01 6 0.4381489336E-10 7 0.4421921468E-01 8 0.1792440247E+00 9 0.1525980920E-08 10 -0.1260654395E-01 11 0.1057915017E-01 12 0.2027246946E-02 13 0.1160477538E-01 14 0.3719554988E-09 15 -0.6328336043E-09 16 -0.1646730661E+00 17 -0.7667196614E+00 18 0.9976776545E+00 19 -0.9136418182E-01 20 0.6509945708E-01 21 -0.2331841480E-08 22 0.5733053245E+00 23 0.2663338061E+00 24 0.3682057926E-08 25 -0.3131333852E+00 26 -0.2655770794E+00 27 0.5787106991E+00 28 -0.6381370521E-01 29 -0.9498159835E-09 30 0.1872754118E-09 31 -0.1673174494E+00 32 -0.7979932360E+00 33 0.6685261809E+00 34 0.8546122518E-01 35 0.9686115116E-02 36 0.4403736824E-08 37 -0.2878723981E+00 38 0.3309416187E+00 39 -0.3263441938E-08 40 -0.2883807303E+00 41 -0.2921128803E+00 42 0.5804946830E+00 43 0.4308395497E-01 44 -0.1471233273E-08 45 0.2578348755E-09 46 0.9357065772E-01 47 0.3799281086E+00 48 -0.5997009861E+00 49 0.2504527798E-01 50 -0.1577205519E+00 51 -0.1626486473E-09 52 -0.1558933300E+00 53 0.3238696658E+00 54 -0.2465918830E-08 55 0.1314118877E-01 56 0.3449888237E-01 57 -0.4763999883E-01 58 0.1824236980E-01 59 0.3531317727E-09 60 0.3210239917E-09 61 0.6844115652E-01 62 0.2820634459E+00 63 -0.3699991427E+00 64 -0.6472103204E-01 65 -0.1340506127E+00 66 0.8194031202E-09 67 0.1452531266E+00 68 0.1762890925E+00 69 -0.4032155772E-09 70 0.1612889971E-01 71 0.3893993078E-01 72 -0.5506889082E-01 73 0.2474908573E-02 74 0.6037828894E-09 75 -0.3806105156E-10 76 -0.4344628970E-02 77 -0.6688952242E-01 78 0.1760794484E-02 79 -0.1155100268E-02 80 -0.3492447407E-09 81 -0.3042451196E-01 82 0.1525162703E-01 83 -0.8460939430E-02 84 -0.1356967083E-01 85 0.2213067992E-09 86 0.4004634549E+00 87 -0.8554387954E-01 88 0.4659492393E-01 89 0.7552093772E-01 90 0.8617909380E-09 91 0.3890257116E+00 92 -0.1267744005E+00 93 -0.2758548727E-01 94 0.8448112938E-01 95 -0.9009972377E-09 Sym= 1 Ene= 0.857136822584926 Spin= Alpha Occup= 9.278232084698810E-004 1 -0.2117455613E-01 2 -0.1098135111E+00 3 0.2920303116E+00 4 -0.1080248598E+00 5 0.2616243522E+00 6 0.1107803578E-08 7 0.6310713302E-03 8 -0.2057172130E+00 9 -0.6295326221E-09 10 -0.5773652011E-01 11 0.4520105051E-01 12 0.1253536009E-01 13 0.1050767874E+00 14 0.8170058156E-09 15 -0.7113381153E-09 16 -0.3255987694E-02 17 -0.5167088697E-02 18 0.2508122506E+00 19 0.1264878876E-01 20 0.2847905699E-02 21 -0.6063622439E-09 22 0.1775083784E+00 23 0.5305763486E-01 24 -0.3188103387E-09 25 0.3716589911E-01 26 -0.2267348450E-01 27 -0.1449234908E-01 28 0.5165384686E-01 29 0.8524768330E-10 30 -0.2131585546E-09 31 0.2647040238E-01 32 0.1461533368E+00 33 -0.4088234912E+00 34 -0.1247089676E-01 35 0.2524542639E+00 36 0.1178524000E-09 37 0.9625416047E-01 38 -0.1899409397E+00 39 0.8663760157E-09 40 -0.4204740118E-01 41 0.5431846983E-01 42 -0.1227114716E-01 43 0.1300401401E+00 44 0.1057474644E-09 45 -0.8834736572E-10 46 0.2840669482E-01 47 0.1143379493E+00 48 -0.2842629102E+00 49 0.3798847606E-01 50 0.7983346516E-02 51 -0.2542377517E-09 52 -0.1662019287E+00 53 -0.1920932853E-01 54 0.3321828948E-09 55 -0.1516966030E-01 56 0.1886160889E-01 57 -0.3691589271E-02 58 0.1767482230E-01 59 -0.1789931419E-10 60 0.2424615211E-09 61 0.1855957713E-01 62 0.8029317128E-01 63 -0.8954953662E-01 64 -0.1221141175E+00 65 0.5342921228E+00 66 0.1308542150E-08 67 0.1874104349E+00 68 -0.7438571803E+00 69 -0.1762824988E-09 70 0.2473111528E+00 71 -0.3055434847E+00 72 0.5823234507E-01 73 -0.9499161007E+00 74 0.2902384065E-09 75 -0.1570645704E-08 76 -0.7451112745E-01 77 0.1302374579E+00 78 0.2997900634E-01 79 0.2312591189E-01 80 0.5228715424E-09 81 -0.1770463940E-02 82 -0.1625454132E-01 83 0.7674468492E-02 84 -0.3461906489E-02 85 -0.2385581884E-09 86 -0.2910551939E-01 87 0.4751925004E-01 88 -0.1516219132E-01 89 -0.1232923813E-01 90 0.3364552797E-09 91 0.9448991105E-01 92 -0.1408846852E+00 93 -0.3936712966E-01 94 0.2121280266E-01 95 -0.4512719332E-10 Sym= 1 Ene= 0.704934564928844 Spin= Alpha Occup= 7.938737169382269E-004 1 -0.2040404666E-02 2 -0.2142694591E-01 3 -0.4781482573E-02 4 0.4776731890E-02 5 0.3447956269E-02 6 -0.1415898530E-08 7 0.9664057939E-02 8 -0.2361181324E-01 9 0.2664869833E-08 10 0.1349780671E-01 11 -0.3829583072E-02 12 -0.9668525835E-02 13 -0.2321434103E-02 14 0.3238808635E-09 15 -0.3132180910E-09 16 -0.5494842015E-02 17 -0.2835317535E-01 18 0.3068037806E-01 19 0.1519484348E-02 20 -0.4550874353E-02 21 -0.1804506230E-08 22 0.1078932945E-01 23 0.2503991654E-01 24 -0.4874623290E-09 25 0.8194976239E-03 26 0.9873004955E-02 27 -0.1069235761E-01 28 -0.9040676864E-02 29 0.3089547793E-09 30 0.1374147418E-09 31 0.5384609644E-02 32 0.1897944044E-01 33 -0.2434736442E-01 34 -0.3786454706E-03 35 -0.5608089944E-03 36 0.1128513431E-08 37 0.2842067758E-02 38 -0.2940348729E-01 39 -0.3065889781E-08 40 -0.4261306320E-02 41 0.6121119309E-03 42 0.3649223015E-02 43 -0.3066703001E-02 44 0.1155994633E-10 45 -0.2108639019E-09 46 -0.2519042334E+00 47 -0.1462712335E+01 48 0.9963439702E+00 49 0.1097434433E+01 50 -0.5638635887E+00 51 0.1184510423E-08 52 -0.6509459062E+00 53 0.3451839748E+00 54 -0.5801542557E-09 55 -0.1119738049E+00 56 0.5115069175E-01 57 0.6082301885E-01 58 0.1238593902E+00 59 -0.5494029685E-09 60 0.1257663935E-10 61 -0.2253260799E-02 62 -0.1805530276E-03 63 0.2513568564E-01 64 -0.3327708583E-02 65 -0.3788876529E-02 66 -0.9611232334E-09 67 0.2023820681E-01 68 0.4340732565E-02 69 0.2297109892E-08 70 -0.5066658998E-04 71 -0.3019165500E-02 72 0.3069858482E-02 73 0.3878173392E-02 74 0.1501378949E-09 75 -0.2967004774E-09 76 -0.4201783410E-02 77 -0.8708694521E-02 78 0.3887030884E-02 79 -0.2476145060E-02 80 -0.5241867764E-11 81 0.1172580414E+01 82 -0.3682322769E+00 83 0.3684601332E-01 84 -0.2641571602E-01 85 -0.1359117748E-09 86 -0.9319082823E-02 87 -0.1106777047E-01 88 0.3391335697E-02 89 0.5553976572E-03 90 0.1381373423E-09 91 -0.6452306039E-02 92 -0.4369207152E-02 93 -0.6842499591E-03 94 -0.9396441334E-03 95 0.5972642206E-10 Sym= 1 Ene= 1.82743569408128 Spin= Alpha Occup= 7.764136726616280E-004 1 0.6329577863E+00 2 0.2664054977E+01 3 -0.1614177027E+01 4 0.1083531744E+01 5 -0.9697564384E+00 6 -0.1952569093E-08 7 -0.3952818031E+00 8 0.9328144942E+00 9 -0.1500738818E-08 10 -0.3136529240E-01 11 -0.9977838942E-01 12 0.1311434670E+00 13 -0.1373026053E+00 14 -0.4984496011E-09 15 0.2545874326E-08 16 -0.5832040296E-01 17 -0.2032768822E+00 18 -0.9578236886E+00 19 -0.4950692287E-01 20 -0.5483862211E-01 21 0.4874461974E-09 22 -0.5701550676E+00 23 -0.9982369323E-01 24 -0.1626900099E-08 25 0.3797335367E-01 26 0.4275737642E-02 27 -0.4224868051E-01 28 0.8941592722E-01 29 -0.7905851457E-09 30 0.1300747365E-08 31 -0.6509387163E-01 32 -0.1783349528E+00 33 0.1562670016E+01 34 0.1559043435E-01 35 0.1144620188E+00 36 -0.7310141453E-09 37 -0.1093809059E+01 38 0.8558270799E+00 39 0.3591320242E-08 40 -0.5085331794E-01 41 0.1368453492E+00 42 -0.8599175383E-01 43 -0.7228280746E-01 44 -0.5461118171E-09 45 -0.3443157968E-09 46 -0.5625929783E-01 47 -0.1910603723E+00 48 0.7841079860E+00 49 0.7844336797E-02 50 0.2698098539E-01 51 0.5576683872E-10 52 0.2626782984E+00 53 -0.1525742101E+00 54 0.6728545440E-09 55 0.5757723452E-01 56 -0.1902347160E-01 57 -0.3855379176E-01 58 -0.4585465692E-01 59 0.5131557087E-09 60 -0.5993485150E-09 61 0.4756379408E+00 62 0.1825130429E+01 63 -0.3248084191E+01 64 -0.4245048691E+00 65 0.4043741572E+00 66 -0.1380260507E-08 67 0.1877160254E+01 68 -0.1208439476E+01 69 0.4267877243E-08 70 -0.3863794864E+00 71 -0.1495833808E+00 72 0.5359625799E+00 73 0.5292318746E+00 74 -0.1305841680E-08 75 0.1879992265E-08 76 -0.3225358996E-01 77 -0.6407147269E-02 78 0.4145344943E-01 79 -0.4345056990E-01 80 0.2187853998E-09 81 -0.2317476421E-01 82 -0.5214667872E-01 83 -0.3693812270E-01 84 0.3092345786E-01 85 -0.4283948800E-09 86 -0.9225225743E-01 87 -0.1488765066E+00 88 0.6770964211E-02 89 -0.3038135936E-01 90 0.5478983946E-09 91 0.6849146319E-01 92 0.3145841574E+00 93 0.3858976500E-01 94 -0.3819597798E-01 95 -0.1842674428E-08 Sym= 1 Ene= 1.30721989386031 Spin= Alpha Occup= 7.470945900725390E-004 1 0.8500023257E-02 2 0.1643436939E+00 3 0.2891641587E+01 4 0.3077187134E+00 5 0.4052782306E+00 6 0.5955402081E-09 7 0.1870934947E+01 8 0.1833294507E+01 9 0.3979790255E-08 10 -0.2274924277E+00 11 0.5082622040E+00 12 -0.2807703237E+00 13 -0.1213393491E+00 14 -0.1063007324E-08 15 0.2671072356E-09 16 0.3323799992E-01 17 0.1054908853E+00 18 -0.1530363642E+01 19 -0.5463797203E-02 20 0.2585767226E-01 21 0.1822933469E-09 22 -0.7492381990E+00 23 -0.5682504615E-01 24 0.2239868995E-08 25 -0.5298088889E-01 26 -0.1553475045E-01 27 0.6851554949E-01 28 -0.6078088247E-01 29 -0.6661726528E-09 30 0.1320780080E-08 31 -0.9352450567E-01 32 -0.3263157415E+00 33 0.1379860132E+01 34 -0.1927317975E-01 35 -0.2452640881E-01 36 0.1086597005E-08 37 -0.1297796789E+01 38 0.6666420205E+00 39 -0.5613710585E-09 40 -0.2012543380E-01 41 0.5573777569E-01 42 -0.3561197401E-01 43 -0.5214605340E-01 44 -0.4124575110E-09 45 -0.6343882846E-09 46 -0.1028253775E+00 47 -0.3689261046E+00 48 0.1601468291E+01 49 -0.1142023914E-01 50 -0.1360110993E-01 51 0.5805339820E-09 52 0.6486765308E+00 53 0.1121826034E+00 54 -0.5509431909E-08 55 0.1810809473E-01 56 -0.3982889182E-01 57 0.2172090628E-01 58 0.3822033517E-01 59 -0.4396569600E-09 60 -0.3846164334E-10 61 0.1968754126E+00 62 0.7165305544E+00 63 -0.2087920682E+01 64 0.5947989866E-01 65 0.1922050109E+00 66 0.3106616046E-08 67 0.5351110173E+00 68 -0.1368230740E+01 69 -0.5389304065E-08 70 -0.8447260466E-01 71 -0.3845859600E-01 72 0.1229312724E+00 73 0.9603114626E-01 74 -0.6720109861E-09 75 0.6078989729E-09 76 -0.1164450803E+01 77 -0.2452153942E+01 78 -0.7099049739E-01 79 0.1149096915E+01 80 -0.2170370138E-09 81 0.2166795317E-02 82 0.3296902818E+00 83 0.2715708492E-01 84 0.2967631116E-01 85 0.2749744910E-08 86 0.1373402100E+00 87 -0.1860535186E+00 88 0.7378597461E-01 89 0.2319301527E-01 90 0.1585444439E-08 91 0.1538823411E+00 92 0.3361628404E+00 93 0.7156915203E-01 94 -0.8255409687E-02 95 0.1152723768E-08 Sym= 1 Ene= 1.46650623270936 Spin= Alpha Occup= 6.462859262742740E-004 1 -0.1197729168E+00 2 -0.4538414974E+00 3 0.6941795344E+00 4 0.7524640573E-01 5 0.2615683310E-01 6 0.3491895211E-08 7 -0.1092026803E+01 8 0.5204255789E+00 9 -0.5407982885E-08 10 0.1532659615E+00 11 -0.1390678598E+00 12 -0.1419887333E-01 13 -0.1318754454E+00 14 -0.2369429195E-09 15 -0.3611063599E-09 16 0.2918687378E+00 17 0.8496398489E+00 18 -0.8762149730E+01 19 0.2245703382E+00 20 -0.4430855641E+00 21 0.8886747850E-09 22 -0.2077359126E+01 23 -0.5693972968E+01 24 -0.1709991239E-09 25 -0.1589606438E-01 26 -0.7986638957E+00 27 0.8145600993E+00 28 0.2974090189E-01 29 0.2095980138E-09 30 -0.1198418589E-08 31 -0.6817023031E-01 32 -0.1830434321E+00 33 0.4524754121E+01 34 -0.1651965464E+00 35 -0.4978126111E-01 36 -0.9781927438E-09 37 -0.1177319740E+01 38 0.3048052429E+01 39 0.6027466980E-09 40 0.5036332301E-01 41 0.4992391380E-01 42 -0.1002870272E+00 43 -0.7008802839E-01 44 -0.6257961997E-09 45 -0.7949080957E-10 46 -0.5918049111E+00 47 -0.2085513070E+01 48 0.7555331888E+01 49 -0.3643667982E-01 50 0.1957904658E+00 51 0.3422213102E-08 52 0.4801878242E+00 53 -0.4404744866E+01 54 -0.2794123726E-08 55 -0.1151065096E+00 56 0.3637246802E+00 57 -0.2486178587E+00 58 -0.2282879448E+00 59 -0.2645131013E-09 60 -0.1786227740E-09 61 0.5524798057E-01 62 0.1831420725E+00 63 -0.1313637293E+01 64 0.3172682141E-01 65 -0.4567100975E-01 66 -0.8604070019E-09 67 0.2550124607E+00 68 0.8643280933E+00 69 0.1700994935E-08 70 0.4049779389E-01 71 -0.3767827346E-01 72 -0.2819187571E-02 73 -0.1580025756E-01 74 -0.1480870309E-08 75 0.5327517652E-09 76 -0.2534018768E-01 77 -0.1222975892E+00 78 0.8068030746E-01 79 -0.1255641833E+00 80 0.6000179955E-09 81 -0.2308715527E+00 82 0.7653241855E+00 83 -0.1819174723E-01 84 0.3165653093E+00 85 0.1372498692E-08 86 0.2118838906E+00 87 -0.1660443581E+01 88 -0.4012329416E-01 89 0.3424257080E+00 90 0.1896655871E-09 91 0.2664359152E+00 92 0.4321700028E+00 93 0.1191735876E+00 94 -0.1380542217E+00 95 -0.2526396022E-08 Sym= 1 Ene= 0.901041584120513 Spin= Alpha Occup= 6.128382260096430E-004 1 -0.1512033392E+00 2 -0.1145053441E+01 3 0.4014609170E+00 4 -0.9145346205E+00 5 0.7969017058E+00 6 -0.2166882687E-08 7 0.3251681189E+00 8 -0.2985772976E+00 9 0.1617963304E-08 10 -0.3553091147E-02 11 -0.1846121444E-01 12 0.2201450537E-01 13 0.7673741956E-01 14 0.5380977419E-09 15 0.1093664547E-09 16 -0.3240473614E-02 17 0.6011920122E-02 18 0.5341279231E-01 19 -0.8433805645E-02 20 0.3200114866E-01 21 -0.4317108465E-09 22 0.1985767707E-01 23 -0.4400808830E-02 24 0.6277349502E-09 25 -0.1051487413E-02 26 0.6641958755E-02 27 -0.5590218029E-02 28 0.1138177440E-02 29 0.5188767693E-09 30 0.7425161541E-09 31 0.5324151285E-02 32 0.3391111069E-02 33 -0.4854248579E-02 34 0.1564727150E-01 35 -0.1421608689E-01 36 -0.8580815308E-09 37 0.3148352560E-01 38 0.1838542491E-01 39 0.2581021111E-09 40 -0.7114181869E-02 41 0.2147942870E-02 42 0.4966223169E-02 43 0.6319658059E-02 44 -0.6715992820E-10 45 -0.4128427649E-09 46 -0.1732188280E-01 47 -0.2286763951E-01 48 0.9755073842E-01 49 0.3021815495E-01 50 -0.2805349725E-01 51 0.2387374964E-09 52 0.4497322022E-01 53 0.1699389652E-01 54 -0.1064722361E-08 55 0.1857398383E-01 56 -0.1362526530E-01 57 -0.4948592176E-02 58 -0.5222899982E-02 59 0.7612343917E-09 60 -0.1247774079E-09 61 0.1582393142E+00 62 0.1067502424E+01 63 -0.4423177564E+00 64 -0.9495170513E+00 65 0.8775015100E+00 66 -0.1995177602E-08 67 0.4305551040E+00 68 -0.2977161400E+00 69 0.1782996488E-08 70 0.2944797230E-01 71 -0.5078360209E-02 72 -0.2436960108E-01 73 -0.8916137091E-01 74 0.2005519444E-09 75 0.2644186744E-09 76 0.8632952568E-01 77 -0.9252641939E-02 78 -0.2803494057E-02 79 -0.9199951751E-02 80 0.3051792456E-09 81 -0.6896847124E-01 82 0.2821319386E-02 83 -0.5444897460E-02 84 0.5673817747E-03 85 0.7187160855E-09 86 -0.8937815977E-02 87 0.3865603161E-02 88 -0.1640718223E-02 89 0.4348106118E-03 90 0.6936173817E-09 91 0.4457861186E-01 92 -0.1778454598E-01 93 -0.1907344435E-02 94 0.5941286691E-02 95 -0.3854642999E-09 Sym= 1 Ene= 1.15806964084844 Spin= Alpha Occup= 5.333760145936560E-004 1 -0.7195828661E-01 2 -0.2499314501E+00 3 0.3449224159E+00 4 0.1043342248E-01 5 0.5478078096E-01 6 -0.1528882830E-08 7 -0.4881563536E-01 8 -0.4597358550E+00 9 0.1249707173E-08 10 -0.2250248196E-01 11 0.5226467593E-01 12 -0.2976198769E-01 13 0.9998406427E-01 14 -0.2770497223E-08 15 0.2270587994E-08 16 -0.1705632227E-01 17 0.4205236013E-01 18 0.2125796904E+01 19 -0.2529521273E+00 20 -0.1330780817E+00 21 0.2330609666E-08 22 -0.3046853919E+01 23 -0.1679742799E+01 24 -0.6715562069E-08 25 0.1560228818E+00 26 0.1044143488E+00 27 -0.2604371033E+00 28 0.4688380296E+00 29 -0.1254387436E-08 30 0.1840705606E-08 31 -0.1084008931E-01 32 -0.4919336773E-01 33 0.1536789389E+01 34 -0.5226851034E-01 35 -0.3859482965E-01 36 -0.4154771160E-09 37 -0.5053886424E+00 38 0.7514887172E+00 39 0.6285658384E-08 40 -0.1723332525E-01 41 -0.6368518122E-01 42 0.8091876054E-01 43 0.7083060436E-01 44 -0.9963429870E-09 45 0.2128687428E-08 46 0.6960557203E-01 47 0.2452335857E+00 48 -0.4047847061E+00 49 -0.8099532092E-01 50 -0.1338395717E+00 51 0.2404390489E-08 52 0.4281875229E+00 53 0.5264920546E+00 54 -0.3939468726E-08 55 -0.7064813408E-01 56 -0.4566898427E-01 57 0.1163167012E+00 58 0.1301701561E-01 59 0.3746246813E-09 60 -0.5170832937E-09 61 0.1007613646E-01 62 0.4684750530E-01 63 -0.3803803957E+00 64 0.1008555806E-01 65 0.1373722868E-01 66 -0.1857879618E-08 67 -0.5783802561E-01 68 0.1038601636E+00 69 0.1550654151E-08 70 0.4696853791E-01 71 0.2848318422E-02 72 -0.4981684371E-01 73 -0.5208456564E-02 74 -0.2336642181E-09 75 0.4676487556E-09 76 0.4169617693E-01 77 0.9564452760E-01 78 -0.8939971150E-02 79 0.5868344848E-01 80 -0.4191855370E-09 81 0.2436197370E+00 82 -0.1767794239E+00 83 -0.2020615675E-01 84 -0.5300289245E-01 85 0.2030177588E-08 86 -0.1421858340E+01 87 -0.2961507110E+01 88 -0.7418428975E+00 89 -0.7722322470E+00 90 0.8148611940E-09 91 0.1779030303E+00 92 0.2657015977E+00 93 -0.1981128323E-01 94 0.1643446301E-01 95 -0.1564123359E-09 Sym= 1 Ene= 0.810400562557999 Spin= Alpha Occup= 5.318751522042990E-004 1 0.7285763110E-02 2 0.2365859871E-01 3 0.3858021480E-01 4 -0.8258173057E-02 5 0.3109809857E-02 6 -0.1064671006E-08 7 0.1626775616E-01 8 -0.6444706992E-01 9 -0.3410285064E-09 10 -0.1272890929E-01 11 0.1052201537E-01 12 0.2206854791E-02 13 0.5102384538E-02 14 -0.5588073444E-09 15 0.1420009089E-09 16 -0.5575756991E-01 17 -0.7065658627E+00 18 0.2403066090E+00 19 0.2472116165E+00 20 -0.1026017459E+01 21 -0.4485848270E-09 22 -0.9527477451E-01 23 0.3010592869E+00 24 0.8406676081E-09 25 0.7019786308E-01 26 -0.1066990694E+00 27 0.3650133188E-01 28 0.5358352120E-01 29 -0.1504432330E-08 30 -0.7766560009E-10 31 -0.1383649501E-01 32 0.4595133782E-02 33 0.6931126155E-01 34 0.6890248513E-02 35 0.6378708714E-01 36 -0.6311588675E-10 37 -0.5019279155E-01 38 0.1184854978E-01 39 -0.9362227193E-09 40 -0.1676238000E-01 41 0.1552700377E-01 42 0.1235238480E-02 43 0.3588948384E-04 44 -0.8876119480E-10 45 0.2462936762E-09 46 0.2216336649E+00 47 0.1332889978E+01 48 -0.8753745172E+00 49 0.8417109648E-01 50 -0.1277895039E+01 51 0.7606292603E-09 52 -0.1144279085E+00 53 0.7586662118E+00 54 0.7516525769E-09 55 -0.8138282465E-01 56 0.9813021898E-01 57 -0.1674733082E-01 58 0.1373421221E-01 59 0.7023110525E-09 60 -0.2813855602E-09 61 -0.3243422080E-02 62 -0.6505514470E-02 63 -0.3378363085E-01 64 -0.5658141311E-03 65 0.3625198190E-03 66 -0.9906214802E-09 67 -0.1599138465E-01 68 -0.3736728736E-01 69 0.4610117908E-09 70 0.3775745029E-02 71 0.9284801179E-03 72 -0.4704249339E-02 73 0.1211424711E-02 74 -0.3762332451E-09 75 0.3011622930E-09 76 0.2143878635E-01 77 0.1241809424E-01 78 -0.1060886709E-04 79 0.4558445709E-02 80 0.4088809411E-09 81 -0.4328422710E-01 82 0.3744964570E-01 83 -0.2234562534E-03 84 -0.1823457230E-01 85 0.2307065292E-09 86 0.4202357451E-01 87 0.2222323222E-02 88 0.1041376044E-01 89 -0.2015634103E-01 90 -0.1146971608E-08 91 -0.7504017920E-01 92 0.1464421806E-01 93 0.7160171168E-02 94 -0.3316454011E-02 95 0.4460256291E-09 Sym= 1 Ene= 1.35146074326928 Spin= Alpha Occup= 5.017249277122910E-004 1 -0.1402361153E-01 2 -0.4400436590E-01 3 0.1343329088E+00 4 0.8852726501E-01 5 0.1041695932E-01 6 0.1064068541E-09 7 -0.2719902660E+00 8 -0.1965440609E-01 9 -0.1684923490E-09 10 -0.1021634122E-02 11 0.2786542391E-01 12 -0.2684355663E-01 13 -0.3743683380E-01 14 -0.3126019128E-09 15 0.1584238018E-09 16 0.1265287744E+00 17 0.6088918700E+00 18 -0.6892216667E+00 19 -0.2597799931E+00 20 -0.1289078459E-01 21 -0.9668248695E-09 22 -0.2663732442E+00 23 -0.4497969600E+00 24 0.1740312813E-08 25 0.4866240770E+00 26 -0.2747954434E+00 27 -0.2118280200E+00 28 0.1669068686E+01 29 0.4123795361E-09 30 0.2875249651E-09 31 -0.1121453770E+00 32 -0.4987775675E+00 33 0.5885589507E+00 34 -0.8801001697E-01 35 0.1661682124E+00 36 0.4249694740E-09 37 -0.2429804497E+00 38 0.5723487725E+00 39 -0.2234790300E-08 40 0.3151525344E+00 41 -0.4851927838E+00 42 0.1700400646E+00 43 0.1746156707E+01 44 -0.2392883909E-09 45 -0.4186415796E-09 46 0.3555613111E-01 47 0.1611098813E+00 48 0.3435605055E-01 49 -0.4787764878E-01 50 -0.2298197896E+00 51 -0.2345216429E-08 52 -0.2254997324E+00 53 -0.3326524592E+00 54 0.2197329708E-08 55 -0.1534615917E+00 56 0.1622833500E+00 57 -0.8822023058E-02 58 0.4188342140E+00 59 -0.1982171327E-09 60 0.1382106536E-09 61 -0.7839904812E-01 62 -0.3671633410E+00 63 -0.1688265557E+00 64 0.3056238536E-01 65 0.3190312642E+00 66 0.8967490115E-09 67 -0.6909601724E-01 68 0.3060113087E+00 69 -0.7074588238E-09 70 0.3584043689E+00 71 -0.4062546066E+00 72 0.4785026093E-01 73 0.9626213295E-01 74 0.3747489080E-09 75 0.1171523698E-10 76 -0.4435143285E-01 77 0.4452115660E-01 78 -0.2948030829E-02 79 0.5812930589E-02 80 -0.2182667456E-10 81 0.2430569312E+00 82 -0.1696293301E+00 83 0.1477712669E+00 84 0.4856612148E-01 85 0.5767833166E-10 86 -0.2091563654E+01 87 0.1069806752E+01 88 -0.2907867716E+00 89 -0.4323200451E+00 90 0.1133191790E-08 91 0.2121233137E+01 92 -0.9835136255E+00 93 -0.7550893920E-01 94 0.5216945529E+00 95 0.7951481804E-09 Sym= 1 Ene= 1.71362247635243 Spin= Alpha Occup= 4.509901573514870E-004 1 0.1530573220E+00 2 0.5435481903E+00 3 -0.2464269475E+00 4 -0.1675485532E+00 5 -0.6248244938E-01 6 -0.1768236307E-08 7 0.4203941377E+00 8 -0.4798580157E+00 9 0.2521005782E-08 10 -0.7492444661E-01 11 -0.3534147023E-01 12 0.1102664137E+00 13 0.5525413044E-01 14 -0.6117018563E-09 15 -0.7652216329E-09 16 0.1091545150E+00 17 0.3940906781E+00 18 0.1059532272E+00 19 -0.5459352723E-01 20 0.1877299395E+00 21 -0.1947527004E-08 22 0.9620945057E+00 23 0.2554774737E-01 24 0.5772983193E-08 25 -0.9124176244E-01 26 0.1821489383E-01 27 0.7302691862E-01 28 0.6002169451E-01 29 -0.2143239097E-09 30 0.2294467371E-09 31 -0.2873192111E-01 32 -0.8375580648E-01 33 -0.5667865682E+00 34 -0.2806256444E-01 35 -0.5603272199E-01 36 0.1157790457E-08 37 0.8278782383E-01 38 0.3858138632E-01 39 -0.3100975671E-08 40 0.3725324457E-01 41 0.3538713093E-01 42 -0.7264036871E-01 43 -0.1013351469E+00 44 0.2929080608E-09 45 -0.7320289693E-09 46 -0.2359963221E+00 47 -0.9417744487E+00 48 0.1753062818E+01 49 0.5303131534E+00 50 -0.2672397713E+00 51 0.1078136816E-08 52 -0.2588879825E+01 53 0.1245864762E+01 54 -0.2621671155E-08 55 0.4644082934E+00 56 -0.1777598482E+00 57 -0.2866480423E+00 58 -0.3849515505E+00 59 -0.2048950998E-08 60 0.5279276177E-09 61 -0.2602097451E-01 62 -0.8012922887E-01 63 0.1517123934E-01 64 0.9315154819E-02 65 0.4241918148E-01 66 0.3253939947E-09 67 -0.1894441023E+00 68 -0.1962700413E+00 69 -0.1077472509E-08 70 0.7068633281E-01 71 0.7228509791E-02 72 -0.7791484127E-01 73 0.7615803390E-04 74 0.3414635525E-09 75 0.3939823556E-09 76 0.2364716811E+00 77 0.1253555305E-01 78 -0.4041207469E-01 79 -0.6774722108E-02 80 -0.7970110564E-10 81 -0.3263598585E+01 82 0.1353748590E+01 83 0.1825272074E+00 84 0.1142901351E+00 85 0.2527817083E-09 86 0.2823225545E+00 87 0.7995628205E-01 88 -0.4056744991E-01 89 0.3303271894E-01 90 -0.1246582853E-08 91 -0.2820361746E-01 92 -0.2609160751E-02 93 0.3225074529E-01 94 -0.3989416934E-01 95 -0.7161593002E-09 Sym= 1 Ene= 0.655950052168319 Spin= Alpha Occup= 4.308987035200980E-004 1 -0.2497335061E+00 2 -0.1486418842E+01 3 0.9427668819E+00 4 -0.1704099663E+00 5 -0.1304031310E+01 6 -0.2068872877E-08 7 0.1341924952E-01 8 0.7953383788E+00 9 0.2435539822E-08 10 0.1349109600E+00 11 -0.2160475654E+00 12 0.8113642910E-01 13 -0.2263933141E-01 14 -0.1055080113E-09 15 -0.6234954562E-09 16 -0.4654530421E-02 17 -0.2337419538E-01 18 0.4230170796E-01 19 -0.4315838472E-02 20 -0.1335430566E-01 21 -0.2555246922E-08 22 0.1132212949E-01 23 0.1436457450E-01 24 0.1642098910E-10 25 0.5720603742E-02 26 -0.6181090533E-02 27 0.4605915492E-03 28 -0.1884577042E-02 29 -0.3983147289E-09 30 -0.4519649656E-09 31 -0.5113206748E-02 32 -0.2972814286E-01 33 0.5202393810E-01 34 -0.4190218437E-02 35 -0.1931175417E-01 36 0.2805188130E-09 37 0.1814680669E-01 38 0.3251347907E-01 39 -0.3149142329E-09 40 0.8380383460E-02 41 -0.8933021057E-02 42 0.5524566812E-03 43 -0.3268493428E-03 44 -0.6510831095E-10 45 0.1870964213E-09 46 -0.1564836534E-01 47 -0.6750796450E-01 48 -0.3520854776E-02 49 -0.4319454372E-01 50 -0.1612576669E-01 51 0.1425806445E-08 52 0.1381067927E-01 53 -0.3118249512E-02 54 -0.2726496818E-09 55 0.1904734697E-02 56 0.9538534855E-02 57 -0.1144322937E-01 58 -0.8014121597E-02 59 -0.4123900939E-09 60 0.1327289723E-09 61 -0.2445716224E-01 62 -0.9581366970E-01 63 0.1273129978E+00 64 0.2744856516E-01 65 -0.1123970112E-02 66 0.9436855879E-09 67 -0.3487988156E-01 68 0.4738277908E-01 69 -0.1325166662E-08 70 0.7831144373E-02 71 0.6035970993E-03 72 -0.8434711235E-02 73 -0.4221132868E-02 74 0.1451855214E-10 75 -0.4381035128E-09 76 0.1263526373E+01 77 -0.3750860531E+00 78 0.5432494887E-02 79 0.2066875451E-01 80 0.9347090291E-09 81 -0.2650839822E-01 82 -0.7410816543E-02 83 0.4008472459E-03 84 0.4641365696E-02 85 -0.7182349993E-09 86 0.2505223872E-02 87 0.7143168687E-02 88 -0.1844187418E-02 89 0.1280910734E-03 90 -0.6959321963E-09 91 0.4205484308E-02 92 0.5549955040E-02 93 -0.9597689777E-03 94 -0.6332380835E-03 95 0.1675751022E-09 Sym= 1 Ene= 1.22652384174273 Spin= Alpha Occup= 3.793258807610440E-004 1 0.4942733869E-01 2 0.1799462850E+00 3 -0.1501071800E+00 4 -0.6715373499E-02 5 0.3219986393E-02 6 -0.9074187196E-09 7 0.1021813028E+00 8 0.1551440043E+00 9 0.3187862198E-08 10 0.6430498609E-02 11 0.7109612069E-02 12 -0.1354008575E-01 13 -0.1720972843E-01 14 0.5666495475E-09 15 0.6407455738E-10 16 -0.7362192477E-01 17 -0.4009848391E+00 18 -0.8540432042E-01 19 0.5690660255E+00 20 0.4640007096E+00 21 0.1006870644E-08 22 0.1179674704E+01 23 0.8898034875E+00 24 0.2567025353E-08 25 -0.5096245424E-01 26 -0.6323929521E-01 27 0.1142014710E+00 28 -0.1990225692E+00 29 0.1375604353E-08 30 -0.1797624625E-08 31 -0.9158863264E-01 32 -0.3747866052E+00 33 -0.3780221187E+00 34 0.7750560177E-01 35 0.1045678748E-01 36 0.4532043805E-09 37 0.5773242119E-02 38 -0.4788468415E+00 39 -0.1434536515E-08 40 0.2046321057E-01 41 -0.5106494497E-01 42 0.3060131278E-01 43 0.2124667361E+00 44 -0.2110968114E-09 45 0.4206689093E-09 46 -0.1797311341E-01 47 -0.6462550684E-01 48 -0.1470525392E+00 49 0.3394186605E-01 50 0.3960576631E-01 51 0.3074930113E-08 52 -0.3480792210E+00 53 -0.8679604653E-01 54 -0.7230030645E-08 55 0.9599464799E-02 56 0.5700474391E-02 57 -0.1529960812E-01 58 0.1073691912E+00 59 0.5865829272E-09 60 -0.6849785132E-09 61 -0.1094362311E-01 62 -0.4712572578E-01 63 0.1783682348E+00 64 0.2369683660E-02 65 0.2725483313E-01 66 0.2352973027E-08 67 0.1907701062E-01 68 -0.7895490803E-01 69 -0.3471686308E-08 70 0.3779053686E-01 71 -0.4217557354E-01 72 0.4384951189E-02 73 0.2549492065E-01 74 0.4820171234E-09 75 -0.5885948298E-10 76 -0.6881239354E-01 77 -0.1727184774E-01 78 -0.8292035473E-02 79 0.7886878834E-02 80 -0.1713828578E-08 81 -0.4348360520E-01 82 0.7604061453E-01 83 0.9446636354E-02 84 -0.1696354139E-01 85 0.4009089238E-09 86 0.3130382035E+01 87 -0.1596873123E+01 88 0.3578945951E+00 89 0.4708385211E+00 90 -0.4849134699E-08 91 0.1510837728E+00 92 -0.1747162895E+00 93 -0.1651075765E-02 94 0.6388781777E-01 95 0.1007820981E-08 Sym= 1 Ene= 1.65197521231536 Spin= Alpha Occup= 3.555858568283640E-004 1 0.1189595963E-01 2 -0.2189200697E-02 3 0.1860452068E+00 4 -0.5831698200E-01 5 0.3182118732E-01 6 -0.9548436261E-09 7 0.9032184491E-01 8 -0.5506171595E-01 9 0.8189336406E-09 10 -0.2081159978E-01 11 0.6046271544E-02 12 0.1476544516E-01 13 0.4314742385E-01 14 -0.4852704052E-09 15 0.1225903077E-08 16 0.2615088704E+00 17 0.1061738025E+01 18 -0.7825017109E+00 19 0.6592227066E+00 20 -0.1039978361E+00 21 0.3133787239E-09 22 -0.3778223221E+00 23 0.1746881151E+00 24 0.1678500494E-08 25 0.1988797957E+00 26 -0.1682884883E+00 27 -0.3059151387E-01 28 0.3102077844E-01 29 0.2093516836E-09 30 0.1719290177E-10 31 -0.4083681885E-01 32 -0.1917377508E+00 33 -0.5255259270E-01 34 0.5122094107E+00 35 0.1943782478E+00 36 0.1357130184E-08 37 -0.4959830771E+00 38 -0.2316934105E+00 39 -0.1945397670E-08 40 -0.1020704795E+01 41 0.1062817761E+01 42 -0.4211291917E-01 43 0.3216619993E+00 44 -0.2098820355E-08 45 -0.7928512825E-09 46 0.2417532628E-01 47 0.8796723150E-01 48 -0.1216605480E+00 49 0.6999128011E-03 50 -0.4464052816E-01 51 -0.2739748157E-08 52 -0.3132766388E-01 53 0.4374244164E-01 54 0.2375429136E-08 55 -0.1744804979E-01 56 0.1014375039E-01 57 0.7304636710E-02 58 0.2652198187E-01 59 -0.2294437293E-09 60 -0.2746679484E-09 61 -0.1730783318E+00 62 -0.7673232697E+00 63 0.6355709701E+00 64 0.2581802106E+00 65 0.4355096964E+00 66 0.2072709807E-08 67 0.1237681173E+00 68 -0.5459227182E+00 69 -0.3160626097E-08 70 -0.1391043614E+00 71 0.9413632794E-01 72 0.4496811111E-01 73 -0.2555643385E+00 74 -0.5762302179E-09 75 0.4629744350E-09 76 -0.4055130209E-01 77 0.5445017598E-01 78 0.1594480814E-02 79 0.6068856220E-02 80 -0.3552122316E-09 81 0.8662007835E-02 82 -0.3282765348E-01 83 0.3566798313E-02 84 -0.1621770280E-02 85 -0.2546925599E-09 86 -0.4071923372E-01 87 0.4343132598E-01 88 -0.3616324059E-02 89 -0.4704497459E-01 90 -0.2734003478E-10 91 -0.5204546345E-01 92 0.1606783343E-01 93 -0.1032560016E+00 94 -0.5925770398E-01 95 -0.8980733412E-09 Sym= 1 Ene= 1.70394104037434 Spin= Alpha Occup= 3.439164591080080E-004 1 -0.6611498681E-02 2 -0.3050595299E-01 3 0.3571312535E+00 4 -0.2783929684E+00 5 0.3990163470E-01 6 -0.1738595223E-08 7 -0.2571112544E+00 8 0.2979210105E-01 9 0.6356206266E-09 10 0.1012351257E+00 11 -0.9186492956E-01 12 -0.9370235708E-02 13 0.1468756550E+01 14 -0.9051768828E-09 15 0.1446215080E-08 16 0.2850989238E-02 17 -0.7868587470E-02 18 0.5706316848E+00 19 0.4235410733E-01 20 -0.4291487406E-01 21 -0.3326168031E-09 22 0.3933884981E+00 23 0.2730799231E+00 24 0.2531654343E-08 25 0.3668321958E-01 26 -0.4688978393E-01 27 0.1020663956E-01 28 0.6366621650E-01 29 0.5725697462E-09 30 0.2875310621E-09 31 0.9706203249E-02 32 0.4551487923E-01 33 -0.5495604887E+00 34 0.4949137110E-01 35 0.2616044172E-01 36 -0.2641073777E-09 37 0.2118891233E+00 38 -0.2401813226E+00 39 -0.1128824085E-08 40 -0.1455135571E-01 41 0.2233780017E-01 42 -0.7786939233E-02 43 0.2823277500E-01 44 0.5133958136E-09 45 0.1837897693E-09 46 -0.3735946461E-01 47 -0.2320357404E+00 48 -0.8077208505E+00 49 -0.3385019331E+00 50 -0.1702327977E+00 51 0.5935060128E-09 52 -0.4000627087E+00 53 0.2261740245E+00 54 -0.2617758518E-08 55 -0.4514270573E+00 56 0.3546379755E+00 57 0.9678943990E-01 58 0.1829300832E-01 59 -0.4607962950E-09 60 0.5968447287E-09 61 0.1447858471E+00 62 0.6286524546E+00 63 0.1803155864E+00 64 -0.4616365100E+00 65 0.3914158981E+00 66 -0.1548713507E-09 67 -0.4150363449E-02 68 -0.1131532285E+00 69 0.1049644802E-08 70 0.1303295630E+00 71 -0.8379559481E-01 72 -0.4653398925E-01 73 -0.2238299693E+00 74 -0.2814074812E-09 75 0.1333981826E-09 76 -0.2267453073E+00 77 0.1488799518E-01 78 -0.1082089499E+01 79 0.1709047885E+00 80 0.6774010777E-09 81 0.4960757714E-01 82 -0.9838360574E-01 83 0.6010276551E-01 84 -0.1140201988E+00 85 0.6937520911E-10 86 -0.8514499755E-02 87 0.1867958648E+00 88 -0.1213270278E-01 89 -0.7618943108E-02 90 -0.3403020309E-10 91 -0.3441975906E-02 92 -0.9819815995E-01 93 0.2995435849E-02 94 0.5819333723E-02 95 0.8475295679E-09 Sym= 1 Ene= 1.30221217723812 Spin= Alpha Occup= 3.049996263030670E-004 1 -0.1069913653E+00 2 -0.2871631665E+00 3 0.3331236751E+01 4 -0.5102821101E+00 5 0.5098516097E-01 6 0.2509243705E-08 7 -0.3781901176E+01 8 0.7835068709E+00 9 -0.6642352041E-08 10 0.6752744247E-01 11 0.2966359355E+00 12 -0.3641630605E+00 13 0.3385888127E+00 14 -0.4744321446E-09 15 -0.2357391352E-08 16 -0.1037873415E+00 17 -0.3270893792E+00 18 0.2026735656E+01 19 -0.3783603762E-01 20 -0.5670701179E-01 21 0.1953856732E-08 22 0.2180674128E+01 23 0.1463262698E-01 24 -0.3288095301E-10 25 0.3363648665E-01 26 0.1044280536E+00 27 -0.1380643871E+00 28 0.2472372683E+00 29 -0.2595692135E-08 30 0.2190844557E-08 31 0.1323843023E+00 32 0.4779574304E+00 33 -0.2017126064E+01 34 0.7190269294E-01 35 0.1224621652E+00 36 -0.1197585259E-08 37 0.1769352138E+01 38 -0.8931792721E-01 39 0.1911940595E-08 40 0.2868775960E-02 41 -0.3955150607E-01 42 0.3668246084E-01 43 0.1493413463E+00 44 0.5024567086E-09 45 -0.2512078593E-09 46 0.4318738089E+00 47 0.1537670615E+01 48 -0.5154293213E+01 49 0.2136908998E+00 50 0.2647800391E+00 51 0.2860531445E-08 52 -0.2403295944E+01 53 -0.2050631332E+01 54 -0.5288001283E-08 55 -0.2079206710E+00 56 0.6238808800E-02 57 0.2016815418E+00 58 -0.3398157063E-01 59 -0.8974145675E-09 60 0.1089682977E-09 61 -0.1888799639E+00 62 -0.7183996274E+00 63 0.2188787323E+01 64 -0.6853792207E-01 65 -0.2490161577E+00 66 -0.4361440501E-08 67 -0.1748979001E+00 68 0.1822965779E+01 69 0.7707590182E-08 70 -0.3262826224E-01 71 0.1363828640E-01 72 0.1899002698E-01 73 -0.8462247546E-01 74 -0.5627634621E-09 75 -0.9585801985E-10 76 -0.8235087484E+00 77 -0.8156098601E+00 78 0.5979900487E+00 79 0.3783766098E+00 80 0.2551939819E-09 81 0.4474054747E+00 82 -0.6622986105E+00 83 0.1936348567E+00 84 0.1015970132E+00 85 0.5676461238E-09 86 -0.9112167903E-01 87 0.6167265129E+00 88 -0.1982374674E+00 89 -0.1402482095E-01 90 -0.1093073989E-08 91 0.8072441421E-01 92 -0.3248590984E+00 93 -0.1259458202E+00 94 0.1699756837E-01 95 -0.4570739420E-11 Sym= 1 Ene= 1.48161748933184 Spin= Alpha Occup= 2.916747200902180E-004 1 0.3075379864E-01 2 0.1881188917E+00 3 0.1430795681E+00 4 -0.5761174582E-01 5 -0.1374414927E+00 6 0.3042266736E-09 7 0.1765186403E+00 8 -0.5203680427E+00 9 -0.2282155384E-08 10 -0.9748852828E-01 11 0.1134951432E+00 12 -0.1600601471E-01 13 0.1097013716E+00 14 0.7775538611E-09 15 -0.6709815358E-09 16 0.5060575081E+00 17 0.2266641863E+01 18 -0.1199346177E+01 19 -0.3092782153E+00 20 0.1505184592E+01 21 0.4050404412E-09 22 0.7355823082E-01 23 -0.1033126121E+01 24 -0.2741470683E-08 25 -0.7621314535E-01 26 0.9044643670E-01 27 -0.1423274177E-01 28 -0.1771806914E+00 29 -0.1557772523E-09 30 -0.1259112519E-08 31 -0.2340339698E-01 32 -0.7219141816E-01 33 0.1047338554E+00 34 -0.5885867704E-02 35 0.5033230330E-01 36 -0.1851584126E-08 37 -0.1457327566E+00 38 0.1726914930E-01 39 0.3250680343E-08 40 -0.2953710618E-01 41 0.1632754975E-01 42 0.1320922484E-01 43 -0.1406934359E+00 44 0.6940805517E-11 45 0.2673686960E-09 46 0.4504996197E+00 47 0.1753141897E+01 48 -0.2824496942E+01 49 0.1031256598E+00 50 -0.4913066326E+00 51 0.1620641553E-08 52 -0.4814384995E+00 53 0.1910136114E+01 54 0.6056796770E-09 55 0.1285886448E+00 56 -0.4223205657E+00 57 0.2937317071E+00 58 0.1883939511E+00 59 0.2951933730E-09 60 0.1256877271E-09 61 -0.2121920189E-01 62 -0.6266081322E-01 63 -0.5698674597E-01 64 0.2528152662E-01 65 0.2974173396E-01 66 -0.4605513577E-09 67 -0.9288159330E-01 68 -0.1795692659E+00 69 -0.1932888487E-09 70 0.3749759209E-01 71 0.2257392402E-01 72 -0.6007151013E-01 73 0.1796713648E-01 74 -0.2516408007E-11 75 0.2042501581E-09 76 0.3385203258E-01 77 0.1164962435E+00 78 0.9881066720E-03 79 0.3686035585E-01 80 0.3208237151E-09 81 0.4751991085E-01 82 -0.2579696104E-01 83 0.4099146765E-01 84 -0.9806121211E-01 85 -0.8353046667E-09 86 0.2485163792E-01 87 0.1029072576E-01 88 0.7737423020E-02 89 0.1916207538E-01 90 0.1608617015E-09 91 -0.4355585047E-01 92 -0.3026798281E-01 93 0.2538938292E-01 94 -0.3014875610E-01 95 0.6040696230E-10 Sym= 1 Ene= 1.82461244342416 Spin= Alpha Occup= 2.567842419370390E-004 1 -0.2773239624E-01 2 -0.9419341373E-01 3 0.5911220700E-01 4 -0.2419194860E+00 5 -0.1094925703E+00 6 -0.1009123539E-08 7 0.1035065459E+00 8 0.3702422893E-01 9 0.1304691187E-08 10 0.1883175238E-01 11 -0.5103018220E-01 12 0.3219830472E-01 13 0.1858100349E-01 14 0.5153381762E-09 15 0.3637055642E-09 16 -0.5428776948E-02 17 0.4406959012E-02 18 0.2162728715E+00 19 -0.5254262204E-01 20 0.5139147391E-01 21 0.5210586633E-09 22 0.1600115618E+00 23 -0.2226130229E-01 24 0.2186654866E-09 25 0.2909888017E-01 26 -0.1586109174E-01 27 -0.1323800347E-01 28 0.1054542641E+00 29 -0.9877232083E-10 30 0.6364027919E-09 31 -0.9088637445E-02 32 -0.3756572251E-01 33 -0.2089649455E+00 34 -0.2369179367E+00 35 0.1773737718E-01 36 -0.4325259617E-09 37 0.2343057416E+00 38 -0.7834037424E-01 39 -0.2268257290E-09 40 0.1148263161E-01 41 -0.6628161027E-01 42 0.5479889019E-01 43 0.4954925023E-01 44 -0.1770582710E-09 45 -0.2303813839E-09 46 -0.1482374610E-01 47 -0.6574945567E-01 48 0.4219430838E-01 49 -0.5024040396E-01 50 -0.6124650851E-01 51 -0.1974720638E-09 52 -0.9011584573E-02 53 0.5592861446E-01 54 -0.9005622712E-09 55 0.1935675752E-01 56 -0.2438101329E-01 57 0.5024114217E-02 58 0.5174065844E-02 59 0.3061732341E-09 60 0.2504122717E-09 61 0.4204999602E-01 62 0.2196159424E+00 63 -0.1221185007E+00 64 -0.2420140161E-01 65 0.2936534264E-02 66 -0.3076088431E-09 67 -0.8174721886E-01 68 -0.6163099075E-02 69 0.9969406406E-09 70 -0.8598299191E+00 71 0.7693946176E+00 72 0.9043522357E-01 73 -0.3155903450E+00 74 -0.1920202346E-08 75 -0.6038789181E-10 76 0.4882677800E-01 77 -0.5106816664E-01 78 -0.1449607097E-01 79 -0.1745107076E-01 80 -0.4158489587E-09 81 -0.2744465927E-01 82 -0.1443528664E-01 83 0.1378230327E-02 84 0.3325102931E-02 85 0.2694371013E-09 86 -0.1021296812E+00 87 0.7676963616E-01 88 -0.2129910457E-01 89 -0.2055491492E-01 90 0.1292659748E-09 91 0.1013137783E+00 92 -0.1272177486E+00 93 -0.5481136515E-01 94 0.1180095575E-01 95 -0.5357919635E-09 Sym= 1 Ene= 1.89232592313145 Spin= Alpha Occup= 2.506785078959200E-004 1 0.8817837075E-02 2 0.3436669934E-01 3 -0.1308592207E+00 4 0.1261065839E-02 5 -0.2639201893E-02 6 0.6447775480E-10 7 -0.1147209792E+00 8 0.1269549270E+00 9 -0.2012608877E-08 10 0.5525063338E-02 11 -0.5795577434E-02 12 0.2703780927E-03 13 0.1675334231E-02 14 0.1028240170E-09 15 0.5834468512E-09 16 0.2015057703E+00 17 0.9618991668E+00 18 -0.1008801370E+01 19 0.4195122980E+00 20 -0.1780402267E+00 21 -0.1884265999E-08 22 -0.6339906258E+00 23 -0.4297064452E+00 24 0.5274858207E-08 25 0.6131543854E+00 26 0.3293587528E+00 27 -0.9425132817E+00 28 0.3927950377E-01 29 0.2784244152E-08 30 0.3894740952E-09 31 -0.2360586004E+00 32 -0.1119561429E+01 33 0.1087000219E+01 34 0.4228233675E+00 35 -0.6444557562E-02 36 0.2862638252E-08 37 -0.4934130735E+00 38 0.6374090161E+00 39 -0.6007315285E-08 40 -0.5738715748E+00 41 -0.3749367984E+00 42 0.9488087784E+00 43 0.9935665406E-01 44 -0.2054468238E-09 45 -0.5065964424E-09 46 -0.1354847574E+00 47 -0.5703671460E+00 48 0.8073553329E+00 49 -0.5463170394E-01 50 0.2653485587E+00 51 0.1018205771E-08 52 0.1936833000E+00 53 -0.4126388791E+00 54 0.6435704711E-09 55 -0.2985116837E-01 56 -0.5725780681E-01 57 0.8710868615E-01 58 -0.3825339709E-01 59 -0.5768312289E-09 60 0.1555311331E-09 61 0.9246773068E-01 62 0.4019576205E+00 63 -0.4581533476E+00 64 -0.1449100105E+00 65 -0.2244132124E+00 66 -0.1272889176E-08 67 0.2475903479E+00 68 0.2557870185E+00 69 0.1909475581E-08 70 0.1484590895E-01 71 0.9393077110E-01 72 -0.1087766716E+00 73 -0.3468301760E-02 74 -0.1574224360E-09 75 -0.3685531399E-09 76 -0.1521882569E-01 77 -0.1706590206E-01 78 0.9021329545E-02 79 -0.9123651976E-02 80 0.5845423915E-09 81 0.5481598481E-01 82 -0.3370479125E-01 83 0.9392354200E-02 84 0.7590092171E-02 85 -0.3688465477E-09 86 -0.8744517683E+00 87 0.3515159144E+00 88 -0.1161925075E+00 89 -0.1291437684E+00 90 -0.1425843896E-08 91 0.8748914790E+00 92 -0.3364007119E+00 93 -0.7638122716E-01 94 0.1618076136E+00 95 0.3320835103E-09 Sym= 1 Ene= 1.10265708292404 Spin= Alpha Occup= 2.433615820348480E-004 1 0.2146654921E-01 2 0.1707075305E+00 3 0.6846782238E+00 4 0.2733946650E+00 5 0.4228541227E+00 6 0.6208073021E-09 7 -0.1582089146E+00 8 0.1272564199E+01 9 -0.8004639282E-11 10 -0.4642645330E-01 11 0.1255950944E+00 12 -0.7916881720E-01 13 -0.3671526271E+00 14 -0.5619312874E-10 15 -0.5715352755E-09 16 -0.3743149928E-01 17 -0.1055323989E+00 18 -0.1848772785E+00 19 -0.1123657038E-01 20 0.4441696231E-01 21 0.1183913952E-08 22 0.2605352161E-01 23 0.2933717975E-01 24 -0.4147825144E-08 25 -0.4478910453E-01 26 0.4617454818E-01 27 -0.1385547079E-02 28 -0.1672134881E-01 29 -0.1019657939E-08 30 -0.5268888278E-09 31 -0.4835370748E-01 32 -0.1607099225E+00 33 0.4396923366E+00 34 -0.5176983373E-02 35 -0.9629819136E-02 36 0.1244567772E-08 37 -0.1965924625E+00 38 0.2721640675E+00 39 0.1455084348E-09 40 0.6776541264E-03 41 0.1565144011E-01 42 -0.1632874580E-01 43 -0.1029971450E-01 44 -0.1316256115E-08 45 -0.1286530865E-08 46 0.1154376559E+00 47 0.4737368965E+00 48 -0.3867819335E+00 49 0.2015615246E+00 50 0.1658211205E+00 51 -0.4291096651E-08 52 -0.1149224668E+00 53 -0.6230826017E+00 54 0.4568347339E-08 55 0.1997062087E+00 56 -0.2149961753E+00 57 0.1528998841E-01 58 -0.5647265967E-01 59 0.4756335700E-09 60 -0.7213542335E-10 61 -0.3057833663E-01 62 -0.1392742243E+00 63 0.1493300775E+00 64 0.1460016035E+00 65 -0.1218127024E+00 66 0.1137792989E-08 67 -0.1980617307E+00 68 -0.1037054264E+00 69 -0.1914807681E-08 70 0.5792507850E-01 71 -0.8279591890E-01 72 0.2487076722E-01 73 0.3927230320E-01 74 -0.2218691171E-09 75 0.1074173788E-08 76 -0.2555445390E+01 77 0.1296183148E+01 78 -0.1863899815E+00 79 0.4605600803E+00 80 0.5609562023E-09 81 0.2837424306E-01 82 -0.2567979460E-01 83 -0.2155387701E-01 84 0.2631552501E-01 85 0.2043042974E-09 86 0.5857132658E-01 87 -0.7272484886E-02 88 0.7857828661E-02 89 0.8013428316E-02 90 -0.5797621362E-09 91 0.1747292855E-01 92 0.1028729216E+00 93 0.8690562823E-02 94 -0.1166296076E-01 95 -0.1911688871E-08 Sym= 1 Ene= 1.77241107224824 Spin= Alpha Occup= 2.035993564685070E-004 1 0.4683786069E+00 2 0.2044913659E+01 3 -0.3149072143E+01 4 0.1524270067E+00 5 0.1576287123E+01 6 0.3240746393E-09 7 -0.7945752914E+00 8 -0.2542799083E+01 9 0.1817526200E-08 10 -0.2886566606E+00 11 0.3389075836E+00 12 -0.5025162950E-01 13 0.1685382210E+00 14 0.1427165549E-08 15 0.7441793972E-09 16 0.5984281747E-01 17 0.2163853692E+00 18 0.2595912585E+00 19 0.2942720792E-01 20 0.3839602247E-01 21 -0.1331204164E-08 22 0.3755186621E-01 23 -0.2290714525E+00 24 -0.7686236862E-09 25 0.2551868376E-01 26 -0.5573388966E-01 27 0.3021495589E-01 28 -0.1363664194E-01 29 0.1482501298E-08 30 0.1356682013E-09 31 0.1035870129E+00 32 0.3638933124E+00 33 -0.6697623610E+00 34 0.1068624726E-02 35 0.6629120863E-01 36 0.1018911609E-08 37 0.5844212375E+00 38 -0.3933750772E+00 39 -0.1860530052E-08 40 0.9509968753E-02 41 -0.7188592340E-01 42 0.6237628833E-01 43 0.3579735905E-01 44 -0.7290155856E-09 45 -0.7498140049E-09 46 -0.1531836459E-01 47 -0.6431542385E-01 48 -0.1202426880E+00 49 -0.1423065098E-01 50 -0.5652561744E-01 51 -0.4536669825E-08 52 0.2309452896E-01 53 0.3801341113E+00 54 0.5039919419E-08 55 -0.5372200293E-01 56 0.9468477689E-01 57 -0.4096294012E-01 58 0.7875843528E-01 59 0.6242792727E-09 60 0.2444900166E-09 61 -0.8104881077E-01 62 -0.3130704173E+00 63 0.7632581870E+00 64 -0.3077460133E-01 65 -0.1114060040E+00 66 0.2249111114E-08 67 -0.1101578310E+00 68 0.8827517936E+00 69 -0.3921864222E-08 70 -0.6109759545E-01 71 0.1094994038E+00 72 -0.4840188361E-01 73 -0.7241498797E-01 74 -0.1757359592E-09 75 0.6530756756E-09 76 -0.2115108974E+00 77 0.1559160915E+01 78 0.1541575726E+00 79 0.1121333878E+01 80 0.1194627720E-09 81 -0.6521216760E-01 82 0.3386457681E-01 83 -0.7436000356E-04 84 -0.8194076364E-01 85 0.1214414585E-09 86 -0.7139851169E-01 87 -0.7997779287E-02 88 -0.8138294493E-02 89 0.1933687335E-01 90 0.3222622852E-08 91 -0.4884746625E-01 92 -0.1592962876E+00 93 -0.3592329443E-01 94 0.3043268937E-01 95 -0.9050251884E-09 Sym= 1 Ene= 1.93646529525167 Spin= Alpha Occup= 1.955484147928490E-004 1 -0.1065428804E+00 2 -0.3776606932E+00 3 0.5546076028E+00 4 0.1889134181E-01 5 0.6404994921E-01 6 -0.2907850119E-08 7 -0.1665616561E+00 8 -0.4799833241E+00 9 0.5860420805E-08 10 -0.3079237311E-01 11 0.8700839793E-01 12 -0.5621645581E-01 13 -0.5664435688E-02 14 -0.1486949833E-09 15 -0.4968455065E-09 16 0.1323808301E+00 17 0.4936055143E+00 18 -0.9742865311E+00 19 0.7085500910E-01 20 0.2761502339E-02 21 -0.6943782773E-09 22 -0.6893938888E+00 23 0.5142980434E+00 24 0.1100510653E-08 25 -0.6572672641E-01 26 -0.3425194866E-01 27 0.9997826587E-01 28 0.1386737334E+00 29 -0.7225855007E-10 30 0.1927244426E-08 31 -0.4874608473E+00 32 -0.2116690635E+01 33 0.3221497186E+01 34 -0.8241868633E+00 35 0.1339247828E+01 36 0.4122163427E-09 37 0.9367967961E+00 38 -0.2374544650E+01 39 0.2029532155E-08 40 0.6841787829E-01 41 -0.1540998729E+00 42 0.8568215231E-01 43 0.2980646404E+00 44 0.1992930669E-08 45 -0.1208759879E-08 46 -0.1413757608E-01 47 -0.5257644394E-01 48 -0.1092081786E+00 49 -0.4534772771E-01 50 -0.1525418413E-01 51 -0.3078364791E-08 52 0.2188549489E+00 53 -0.7497822147E-01 54 0.8218560659E-09 55 0.1939884855E-02 56 0.2643123121E-01 57 -0.2837103150E-01 58 0.3333598352E-02 59 -0.6590687121E-09 60 -0.3260624192E-09 61 0.4747537123E-02 62 0.2926268549E-01 63 0.4809736181E-01 64 0.4586278793E-01 65 -0.5701618680E-01 66 0.2654275133E-08 67 -0.1876254506E+00 68 0.3514558741E+00 69 -0.5865590071E-08 70 0.4826681774E-01 71 -0.6992718001E-01 72 0.2166042154E-01 73 0.2033607535E-01 74 0.1086688667E-08 75 -0.2508641916E-09 76 0.5692345868E-02 77 0.1443392852E+00 78 0.6108366492E-02 79 0.3757555768E-01 80 -0.7845391531E-09 81 0.1411722013E+00 82 -0.1730230927E+00 83 -0.1643725524E-03 84 0.3313983567E-01 85 0.1344375793E-09 86 0.4451984991E-01 87 -0.3192653103E-01 88 0.5108079342E-01 89 -0.6989382321E-01 90 0.1120493667E-08 91 0.3464393165E-01 92 -0.1159131898E+01 93 -0.5157787710E+00 94 0.1065934357E+01 95 -0.3094467380E-08 Sym= 1 Ene= 1.60326713485437 Spin= Alpha Occup= 1.708697963312200E-004 1 -0.6845982079E-02 2 0.9643189089E-02 3 -0.2587376231E+00 4 -0.5416531949E-01 5 -0.2622054230E-01 6 -0.8690575313E-09 7 0.9854515191E-01 8 0.4731427131E-01 9 0.1434556084E-08 10 0.4225972474E-01 11 -0.3543493381E-01 12 -0.6825126884E-02 13 0.2656053098E-01 14 0.4126511741E-09 15 -0.8479194333E-09 16 0.4633545826E-01 17 0.2105160068E+00 18 0.1991981147E-01 19 0.3686636868E+00 20 -0.3586338936E+00 21 0.1862287373E-08 22 -0.4375414263E+00 23 0.3554683253E+00 24 -0.2359187586E-08 25 0.1030491582E+01 26 -0.1053462175E+01 27 0.2297072254E-01 28 -0.3634146377E+00 29 0.1961527431E-08 30 -0.1786044564E-08 31 -0.2654059021E+00 32 -0.1066032117E+01 33 0.9316317169E+00 34 0.6671350970E+00 35 -0.1676616766E-01 36 0.4237836861E-09 37 -0.4483742182E+00 38 0.2913853945E-01 39 0.1809268793E-08 40 -0.1603223617E+00 41 0.1394147459E+00 42 0.2090753062E-01 43 0.1131804458E+00 44 0.9903163839E-09 45 0.3937059290E-09 46 0.1943216916E+00 47 0.8584244127E+00 48 -0.6542611129E+00 49 0.3487265314E-01 50 -0.5741575402E+00 51 -0.6172678381E-09 52 0.3559056628E+00 53 0.6258514149E+00 54 0.1458847971E-08 55 -0.6554706349E-01 56 0.1197197857E+00 57 -0.5417218023E-01 58 -0.3584200398E+00 59 0.1727001398E-09 60 -0.4062819849E-09 61 -0.1928489647E-01 62 -0.7794434733E-01 63 0.4452894146E-01 64 -0.2214959758E-02 65 0.4100049111E-01 66 -0.8131147026E-09 67 0.3277880058E-01 68 0.2761197130E-01 69 0.3314042274E-09 70 0.1680971165E-01 71 -0.1677129578E-01 72 -0.3844135302E-04 73 -0.1311065664E-01 74 0.2550174772E-09 75 -0.3152842309E-09 76 0.5961917308E-01 77 -0.7217769446E-01 78 0.3594210997E-02 79 -0.1157233270E-01 80 0.2326144111E-09 81 -0.4413262164E-01 82 0.3562631787E-01 83 -0.8638272318E-01 84 -0.1902808224E-01 85 -0.4648295889E-09 86 -0.9917160078E-01 87 0.5878626493E-01 88 -0.7151459331E-01 89 0.6162042913E-01 90 -0.2639390666E-10 91 0.5429915221E-01 92 -0.1845674604E-01 93 0.1039238953E-01 94 0.4259348794E-01 95 0.2696228130E-09 Sym= 1 Ene= 1.19267875187541 Spin= Alpha Occup= 1.645062557968350E-004 1 0.8244376808E-01 2 0.2811021638E+00 3 -0.8210936679E+00 4 -0.2763044356E-01 5 -0.3268042950E-01 6 0.3997293173E-08 7 0.1941083490E+00 8 0.8070066232E+00 9 -0.7187791990E-09 10 0.2516816312E-01 11 -0.8932835056E-01 12 0.6416010887E-01 13 0.1867764043E-01 14 -0.1489972734E-08 15 -0.9990769763E-09 16 -0.6742063359E-01 17 -0.2362824618E+00 18 -0.2641187503E+00 19 -0.4314177576E-01 20 0.2457797814E-01 21 -0.2699269512E-08 22 0.6505190190E-01 23 -0.9078488077E+00 24 0.8453120957E-08 25 0.7929644735E-01 26 0.2433735397E-01 27 -0.1036339403E+00 28 0.3430114976E-01 29 0.1369665721E-08 30 0.1363881894E-08 31 0.4124938173E-01 32 0.4418388753E-01 33 -0.2833501927E+01 34 -0.1949111514E+00 35 0.2405710833E+00 36 0.2939514857E-08 37 -0.1437931989E+01 38 0.2780155713E+01 39 -0.7214944648E-08 40 0.6308888450E-01 41 -0.3236233115E+00 42 0.2605343360E+00 43 0.4035417008E+00 44 0.3310935878E-09 45 0.1187648113E-08 46 -0.6103609563E-01 47 -0.2262792827E+00 48 0.9585949084E+00 49 0.2411243777E-01 50 0.3609876856E-01 51 0.1040000431E-08 52 -0.1283256500E+00 53 -0.1392601675E+00 54 -0.7173726238E-08 55 -0.5546518954E-02 56 -0.9624620796E-02 57 0.1517094862E-01 58 0.1220886268E-01 59 0.1317978425E-09 60 0.1031954199E-08 61 -0.3190001444E-01 62 -0.1112417847E+00 63 0.8975101215E-01 64 -0.1298781671E-01 65 0.1139773477E+00 66 0.4457194325E-08 67 -0.9198376250E-02 68 -0.2906357318E+00 69 -0.6270767719E-08 70 0.5248975262E-01 71 0.2847002068E-01 72 -0.8095969603E-01 73 -0.2147741928E-02 74 -0.3584557881E-09 75 -0.2737577516E-09 76 -0.5544206361E-01 77 -0.2300174279E+00 78 -0.2573910648E-01 79 -0.5296895968E-01 80 0.8774381177E-09 81 -0.1649156752E+00 82 0.1338026775E+00 83 -0.5090634386E-02 84 -0.2330436910E-04 85 0.2303433458E-08 86 -0.1925320873E+00 87 -0.1761299327E+00 88 -0.7702900135E-01 89 0.6110788635E-01 90 0.8309416193E-09 91 0.1424135310E+01 92 0.2866031708E+01 93 -0.5684942520E+00 94 0.9299669743E+00 95 0.1298969031E-08 Sym= 1 Ene= 1.61790614291684 Spin= Alpha Occup= 1.448425894721750E-004 1 -0.1025318247E-01 2 -0.7481703908E-01 3 0.5080203305E-01 4 -0.1566190069E+00 5 0.2426659442E+00 6 0.2088375393E-08 7 0.8288059118E-01 8 -0.9838924160E-01 9 -0.2976633187E-09 10 -0.5014318072E-01 11 0.3801654810E-01 12 0.1212687709E-01 13 0.9114887940E-01 14 0.8324549152E-09 15 0.8618086055E-09 16 0.3967472754E-01 17 0.1749931450E+00 18 -0.4062708601E+00 19 -0.8273614801E-01 20 0.1880909750E+00 21 -0.2089130987E-08 22 -0.6163648919E-01 23 -0.2118915788E+00 24 0.2494835226E-08 25 -0.5446729533E-01 26 0.5870865354E-01 27 -0.4241296214E-02 28 -0.1001874290E+00 29 0.1428294505E-09 30 -0.4366452822E-09 31 0.2590556356E-02 32 -0.1139001383E-01 33 0.1539428593E+00 34 -0.3502715017E-01 35 -0.1425521566E-01 36 0.2815722483E-09 37 -0.4407205529E-01 38 0.8315876242E-01 39 -0.2140257957E-08 40 0.1209420693E-01 41 -0.1797949470E-01 42 0.5885275201E-02 43 -0.9932402250E-03 44 0.2426373012E-09 45 0.5368800038E-09 46 0.5826351970E-01 47 0.2378897889E+00 48 -0.2326855446E+00 49 0.2989456801E-01 50 0.3134434701E+00 51 -0.1399955302E-08 52 0.6426151608E-01 53 -0.5497440156E+00 54 0.9363832163E-09 55 0.8497982179E+00 56 -0.8167586486E+00 57 -0.3303953919E-01 58 -0.1789651243E+00 59 -0.3901048613E-09 60 -0.9573235335E-09 61 0.2986657427E-01 62 0.1313051033E+00 63 -0.9801004813E-01 64 -0.7282736382E-01 65 0.9218515178E-01 66 0.1677345522E-08 67 0.1028225381E+00 68 -0.5437180557E-01 69 -0.1539268959E-08 70 -0.2587374836E-02 71 0.1517236848E-01 72 -0.1258503065E-01 73 -0.1367169918E-01 74 -0.2523227999E-09 75 -0.2379108973E-09 76 0.3609966172E-01 77 0.3676647151E-01 78 -0.3900675154E-01 79 0.4285539849E-02 80 -0.5090771656E-09 81 0.1255703040E+00 82 -0.2692571415E-01 83 -0.8905153570E-01 84 0.5673191919E-01 85 -0.8458031159E-09 86 0.7898284819E-01 87 -0.6636733647E-01 88 0.1064950063E-01 89 0.2603422641E-01 90 0.1011037079E-09 91 0.2382687536E-01 92 0.2545962010E-02 93 0.6332447313E-03 94 -0.2481718029E-02 95 0.4271264130E-09 Sym= 1 Ene= 1.01378371563197 Spin= Alpha Occup= 1.291337737093470E-004 1 0.1575740743E-01 2 0.4290853856E-01 3 -0.3370598850E+00 4 0.3307610996E+00 5 -0.3802711252E+00 6 0.5287440179E-09 7 -0.5397969689E+00 8 -0.4966956559E+00 9 -0.1943750501E-08 10 -0.1894680576E+00 11 0.2010314601E+00 12 -0.1156358439E-01 13 -0.7909667733E+00 14 -0.3258646956E-09 15 -0.1350436532E-08 16 0.8709363081E-02 17 0.3792570675E-01 18 -0.1412809521E+00 19 0.5706086867E-03 20 0.2809199066E-01 21 0.1242748185E-09 22 0.2390961300E-01 23 -0.1849521614E+00 24 0.5729912541E-09 25 -0.1443839159E-01 26 0.1316685313E-01 27 0.1271431944E-02 28 0.3954377042E-02 29 -0.1776284180E-10 30 0.3603381958E-09 31 0.2739268457E-01 32 0.6799218574E-01 33 0.7628229566E-02 34 -0.3412213726E-01 35 -0.4213667672E-01 36 -0.1747890039E-08 37 0.1593024822E+00 38 0.3282218149E-01 39 0.1114214614E-08 40 0.1536858206E-01 41 -0.2314031100E-01 42 0.7771418211E-02 43 -0.1714364343E-01 44 -0.1062728532E-09 45 0.1725619254E-09 46 0.1354491149E+00 47 0.5977994419E+00 48 -0.5262916821E+00 49 0.3676731212E+00 50 0.2141089463E+00 51 0.5054615163E-08 52 -0.3390560349E+00 53 -0.3128872058E+00 54 -0.4327704841E-08 55 0.1243917526E+00 56 -0.9669921719E-01 57 -0.2769266746E-01 58 0.4406494991E-01 59 -0.7846091703E-09 60 0.3451179569E-09 61 -0.1986884888E+00 62 -0.8420379666E+00 63 0.6033731199E+00 64 0.3383801238E+00 65 -0.3264313299E+00 66 -0.2433091161E-08 67 -0.1422546778E-01 68 0.5970899216E+00 69 0.3612032972E-08 70 -0.1630238475E+00 71 0.1491425533E+00 72 0.1388137361E-01 73 0.1115159139E+00 74 0.3608278178E-09 75 -0.9140730770E-09 76 0.1247563296E+01 77 -0.6355242953E+00 78 -0.3980972352E+00 79 -0.1970266138E+00 80 -0.3180368697E-09 81 -0.2620152426E-01 82 0.4407737780E-01 83 0.3111711509E-02 84 0.3964021630E-01 85 -0.5562731366E-09 86 0.2303602207E-01 87 -0.7732344222E-01 88 -0.3126973817E-02 89 0.9721164534E-02 90 0.6507027803E-09 91 -0.3639592236E-01 92 0.8832111915E-02 93 -0.9575412257E-02 94 -0.8002614406E-02 95 0.1318452414E-08 Sym= 1 Ene= 2.01416895139084 Spin= Alpha Occup= 1.014470607240970E-004 1 -0.9331896730E-01 2 -0.3302490176E+00 3 0.2745961920E+00 4 -0.1783140226E-01 5 0.6415000087E-01 6 0.1611316937E-08 7 -0.1437496851E+00 8 -0.2922822697E+00 9 -0.2767333724E-08 10 0.8963459554E-02 11 0.3670708571E-01 12 -0.4567076120E-01 13 0.7508176727E-01 14 0.1663715548E-09 15 -0.2017237189E-09 16 -0.4396920047E+00 17 -0.1946631079E+01 18 0.2306134732E+01 19 0.1161005375E+01 20 0.9996168699E+00 21 0.8926519731E-09 22 -0.1964513714E+01 23 -0.1506002541E+01 24 -0.3169868111E-08 25 0.1690815952E+00 26 -0.2990037734E+00 27 0.1299224706E+00 28 -0.3783039610E+00 29 -0.3126673793E-09 30 0.2230606139E-08 31 0.1844240272E-01 32 0.6392490905E-01 33 0.1857087152E+00 34 0.6731966090E-01 35 0.2542087063E-02 36 -0.2230075566E-09 37 0.2009253322E+00 38 0.2352192082E+00 39 0.3673156479E-08 40 -0.1201501949E+00 41 0.5398001605E-01 42 0.6617001427E-01 43 -0.5845753168E-01 44 -0.1032528928E-08 45 -0.2010804956E-09 46 0.4976462739E-01 47 0.2114569297E+00 48 -0.8987541096E-01 49 -0.6311416301E-01 50 -0.1328886084E+00 51 -0.3833773079E-09 52 0.3556292837E+00 53 0.3174227514E+00 54 0.5787771539E-09 55 -0.7676004780E-02 56 0.2432305054E-02 57 0.5244085270E-02 58 -0.1960289930E+00 59 0.2901012595E-09 60 -0.7573079883E-10 61 -0.3994187846E-01 62 -0.1430122485E+00 63 0.1731566088E+00 64 0.4603857259E-01 65 0.6956327288E-02 66 0.1231203632E-08 67 -0.2271268439E+00 68 0.6903926734E-01 69 -0.2521719319E-08 70 0.2096602569E-01 71 0.2421905204E-01 72 -0.4518520643E-01 73 -0.3792018601E-02 74 -0.3900814305E-09 75 0.8211312276E-09 76 0.2943437308E-01 77 0.6827414782E-01 78 0.2270003348E-01 79 0.2641772908E-01 80 0.1138044723E-08 81 0.2904635833E-01 82 -0.1323342284E+00 83 -0.1204344045E+00 84 -0.2834164799E-01 85 -0.5377186579E-09 86 0.2445062715E+00 87 -0.1195257617E+01 88 0.1156141452E+01 89 0.4779624883E+00 90 0.1460733894E-08 91 0.3837963232E-02 92 -0.4714310106E-02 93 -0.1610313149E-01 94 -0.2468147089E-01 95 -0.1558461711E-08