26-Oct-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 121 121 309 309 3462 (5D, 7F) CBSB1 357 C1[X(C96H24Cl)] 1188.4802000000018 -1 1 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;90;91;92;93;94;95;96;121;97;98;99;100;101;102;103;104;105;106;107;108;109;110;111;112;113;114;115;116;117;118;119;120/rA:121nC0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0Cl0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7238,1.1406,-.1312;1.3004,-.1445,-.1529;-.677,1.286,-.1006;.4738,-1.2847,-.1266;-1.5047,.1447,-.0848;-.9278,-1.1416,-.0964;1.5453,2.2751,-.1412;2.6911,-.2874,-.1797;-1.251,2.5652,-.0836;1.0457,-2.5637,-.128;-2.8988,.2883,-.055;-1.7503,-2.2769,-.0733;.968,3.5607,-.1182;3.5158,.8539,-.1877;2.9462,2.1279,-.173;.2185,-3.7047,-.101;-3.7247,-.8543,-.0406;-2.6532,2.7088,-.0517;-1.1737,-3.563,-.0819;-3.4743,1.5755,-.0459;-.4237,3.7062,-.0904;-3.1525,-2.1314,-.0476;3.2653,-1.5729,-.1782;2.4477,-2.7052,-.1539;1.797,4.7069,-.1188;4.92,.7084,-.1969;3.7733,3.2737,-.1609;-2.0026,-4.7084,-.0545;-5.1313,-.7091,-.0104;-1.0017,4.9967,-.0728;-4.8807,1.7203,-.0126;.7963,-4.996,-.1027;4.6702,-1.7171,-.1845;-3.231,4,-.0403;-3.9815,-3.2775,-.0279;3.0239,-3.9962,-.1421;3.198,4.5592,-.1389;5.4932,-.5761,-.1942;-5.7061,.5778,-.0012;-2.4033,5.1406,-.0456;-3.4042,-4.5632,-.033;2.1981,-5.1375,-.119;5.7391,1.8421,-.187;-.1781,6.131,-.075;-5.4513,3.0008,-.0016;5.1662,3.1282,-.1701;1.2225,5.985,-.0979;-4.6255,4.1414,-.0106;-1.4278,-5.987,-.058;-5.9511,-1.8462,.0053;5.2408,-2.9952,-.1718;-.0269,-6.1301,-.0769;-5.3755,-3.1314,-.0016;4.4177,-4.1377,-.1529;4.0269,5.704,-.1301;6.8969,-.721,-.1866;-7.1119,.7228,.0277;-2.9802,6.4311,-.0276;-4.2323,-5.7088,-.0107;2.7762,-6.4273,-.1103;7.1524,1.6885,-.1794;-.7674,7.4254,-.0544;-6.8668,3.1369,.0274;-5.1969,5.4435,.0052;2.0642,7.1311,-.0948;5.9928,4.285,-.1562;-7.3645,-1.6905,.0333;-2.2689,-7.1338,-.0337;.5634,-7.4238,-.0734;6.656,-3.133,-.1697;-6.2007,-4.2895,.018;4.9909,-5.4392,-.1394;5.42,5.5313,-.1394;-7.6581,2.0166,.0403;3.4263,6.9734,-.1097;-4.3798,6.545,-.0029;-2.1333,7.551,-.0323;-3.6316,-6.978,-.0123;7.6984,.4315,-.1803;-7.9105,-.4323,.0432;1.9291,-7.5473,-.0887;-5.6257,-5.5347,.0132;7.446,-2.0132,-.1766;4.1754,-6.5421,-.1207;.108,8.5628,-.0548;7.9608,2.8737,-.1651;-7.4139,4.4636,.0425;1.4407,8.4232,-.073;-6.6278,5.5489,.0322;7.4158,4.0974,-.1559;-8.1708,-2.8775,.0514;-7.6229,-4.1006,.0443;-.3107,-8.5614,-.05;-1.6439,-8.4258,-.0319;6.4223,-5.5454,-.1424;7.2053,-4.4583,-.1551;6.0541,6.4067,-.1267;-8.7332,2.1276,.063;4.0606,7.8489,-.1025;-4.8213,7.5317,.0112;-2.5745,8.5378,-.0161;-4.2649,-7.8539,.0065;-6.2593,-6.4105,.0301;-8.9856,-.3216,.0655;2.3714,-8.5338,-.0819;8.7736,.3195,-.1674;8.5215,-2.1227,-.1661;4.6175,-7.5285,-.1091;-.3375,9.5467,-.0375;-8.4888,4.5693,.0641;9.0347,2.7553,-.1566;-7.0637,6.5373,.0451;2.0794,9.2946,-.07;-9.2447,-2.7616,.0725;8.0444,4.9759,-.1409;-8.2515,-4.9791,.0596;6.8588,-6.5335,-.1283;.1366,-9.5448,-.046;-2.2808,-9.2981,-.0132;8.2807,-4.5614,-.1505;3.6547,-.0033,2.8725; g16 Output=Cl6-c96h24.log nproc=64 mem = 120GB chk=Cl6-c96h24.chk #P freq=noraman Guess=Read EmpiricalDispersion=GD3BJ integral(grid=ult 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=10,11=9,24=10,25=1,30=1,71=2,74=-78,75=-5,116=-2,124=41,140=1,175=1217700,177=414500,178=4859300/1,2,3 4/5=1/1 5/5=2,8=4,13=1,38=6,98=1/8,2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=3,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 Cl6-c96h24 opt 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 35 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 34.9688527 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /prod/precompiled/gaussian/16c2/g16/l101.exe) Berny optimization. 0.10000e-02 0.10000e-05 F 3951 A 3462 A 5269 3951 16541.4381039871 121 1.00e+00 60 T IExCor= 1009 DFT=T Ex+Corr=PBE0DH ExCW=0 ScaHFX= 0.500000 ScaDFX= 0.500000 0.500000 0.875000 0.875000 ScalE2= 0.125000 0.125000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 3462 RedAO= T EigKep= 1.10D-06 NBF= 3462 NBsUse= 3320 1.00D-06 EigRej= 9.96D-07 NBFU= 3320 Grimme-D3(BJ) -0.2610008558 C96H24Cl(1-) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1188.4802000000018 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;90;91;92;93;94;95;96;121;97;98;99;100;101;102;103;104;105;106;107;108;109;110;111;112;113;114;115;116;117;118;119;120/rA:121nC0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0Cl0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7238,1.1406,-.1312;1.3004,-.1445,-.1529;-.677,1.286,-.1006;.4738,-1.2847,-.1266;-1.5047,.1447,-.0848;-.9278,-1.1416,-.0964;1.5453,2.2751,-.1412;2.6911,-.2875,-.1797;-1.251,2.5652,-.0836;1.0457,-2.5637,-.128;-2.8987,.2884,-.055;-1.7503,-2.2769,-.0733;.968,3.5607,-.1182;3.5158,.8539,-.1877;2.9462,2.1279,-.173;.2185,-3.7047,-.101;-3.7247,-.8543,-.0407;-2.6532,2.7088,-.0517;-1.1737,-3.563,-.0819;-3.4743,1.5755,-.0459;-.4237,3.7061,-.0904;-3.1525,-2.1314,-.0476;3.2653,-1.5729,-.1782;2.4477,-2.7052,-.1539;1.797,4.7069,-.1188;4.92,.7084,-.1969;3.7733,3.2737,-.1609;-2.0026,-4.7084,-.0545;-5.1313,-.7091,-.0104;-1.0017,4.9967,-.0728;-4.8807,1.7203,-.0127;.7963,-4.996,-.1027;4.6702,-1.7171,-.1845;-3.231,4,-.0404;-3.9815,-3.2775,-.0279;3.0239,-3.9962,-.1421;3.198,4.5592,-.1389;5.4932,-.5761,-.1942;-5.7061,.5778,-.0012;-2.4033,5.1406,-.0456;-3.4042,-4.5632,-.033;2.1981,-5.1375,-.119;5.7391,1.8421,-.187;-.178,6.131,-.075;-5.4513,3.0008,-.0016;5.1663,3.1282,-.1701;1.2225,5.985,-.0979;-4.6255,4.1414,-.0106;-1.4278,-5.987,-.058;-5.9511,-1.8462,.0053;5.2408,-2.9952,-.1718;-.0269,-6.1301,-.0769;-5.3755,-3.1314,-.0016;4.4177,-4.1377,-.1529;4.0269,5.704,-.1301;6.8969,-.721,-.1866;-7.1119,.7228,.0277;-2.9802,6.4311,-.0276;-4.2323,-5.7088,-.0107;2.7762,-6.4273,-.1103;7.1524,1.6885,-.1794;-.7674,7.4254,-.0543;-6.8668,3.1369,.0274;-5.1969,5.4435,.0052;2.0642,7.1311,-.0948;5.9928,4.285,-.1562;-7.3645,-1.6905,.0333;-2.2689,-7.1338,-.0337;.5634,-7.4238,-.0734;6.656,-3.133,-.1697;-6.2007,-4.2895,.018;4.9909,-5.4392,-.1394;5.42,5.5313,-.1394;-7.6581,2.0166,.0403;3.4263,6.9734,-.1097;-4.3798,6.545,-.0029;-2.1333,7.551,-.0323;-3.6316,-6.978,-.0123;7.6984,.4315,-.1803;-7.9105,-.4323,.0432;1.9291,-7.5473,-.0887;-5.6257,-5.5347,.0133;7.4461,-2.0132,-.1766;4.1754,-6.5421,-.1207;.108,8.5628,-.0548;7.9608,2.8737,-.1651;-7.4139,4.4636,.0425;1.4407,8.4232,-.073;-6.6278,5.5489,.0322;7.4158,4.0974,-.1559;-8.1708,-2.8775,.0514;-7.6229,-4.1005,.0443;-.3107,-8.5614,-.05;-1.6439,-8.4258,-.0319;6.4223,-5.5454,-.1424;7.2053,-4.4583,-.1551;6.0541,6.4067,-.1267;-8.7332,2.1276,.063;4.0606,7.8489,-.1025;-4.8213,7.5317,.0112;-2.5744,8.5378,-.0161;-4.2649,-7.8539,.0065;-6.2593,-6.4105,.0301;-8.9856,-.3216,.0655;2.3714,-8.5339,-.0819;8.7736,.3195,-.1674;8.5216,-2.1227,-.1661;4.6175,-7.5285,-.1091;-.3375,9.5467,-.0375;-8.4888,4.5693,.0641;9.0347,2.7553,-.1566;-7.0637,6.5373,.0451;2.0794,9.2946,-.07;-9.2447,-2.7615,.0725;8.0444,4.9759,-.1409;-8.2514,-4.9791,.0596;6.8588,-6.5335,-.1283;.1366,-9.5448,-.046;-2.2808,-9.2981,-.0132;8.2807,-4.5614,-.1505;3.6547,-.0033,2.8725; 0.0211893 0.0207714 0.0106224 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 3691 3691 3691 3691 3691 MxSgAt= 121 MxSgA2= 121. 1