TURBOMOLE 7.3 9 Jul 2018 at 10:31:25 node019.lawrence Local memory allocated for RDGRAD: 8 MiB 2023-07-10T20:25:21.691 v 1-6 v def2-TZVP o 7-23,66 o def2-TZVP c 24,28-29,35-36,43-44,51-52,58-59,67 c def2-TZVP h 25-27,30-34,37-42,45-50,53-57,60-65,68-72 h def2-TZVP uhf dft pbe0 m4 rij v o c h def2-TZVP def2-TZVP def2-TZVP def2-TZVP 6s4p4d1f 5s3p2d1f 5s3p2d1f 3s1p 737.7666000000005 AuxInfo=1/0/N:24,12;67,13;28,14;29,15;35,16;36,17;43,18;44,19;51,20;52,21;58,22;59,23;7;8;9;10;11;66;1;2;3;4;5;6/CRV:12*2.1;;;;;;;;;;;;/rA:72nVVVVVVO1O1O1O1O1O3O3O3O3O3O3O3O3O3O3O3O3CHHHCCHHHHHCCHHHHHHCCHHHHHHCCHHHHHCCHHHHHHO1CHHHHH/rB:;;;;;s1;s3;s4;s5;s6;s1s6;s2s5;s1s3;s2s4;s1s3;s2s4;s3s5;s4s6;s3s5;s4s6;s2s5;s1s6;s12;s24;s24;s24;s14;s15;s28;s29;s28;s28;s29;s16;s17;s35;s36;s35;s36;s35;s36;s18;s19;s43;s44;s43;s44;s43;s44;s20;s21;s51;s52;s52;s51;s52;s22;s23;s58;s59;s58;s59;s58;s59;s2;s13;s67;s67;s67;s29;s51;/rC:-2.2177,-2.1482,-.0028;2.2176,2.1481,.0028;-3.0417,.8562,.0019;3.0416,-.8563,-.0017;-.7833,3.0013,.0058;.7833,-3.0014,-.0059;-3.3142,-3.2628,-.0093;-4.5497,1.2686,.0059;4.5495,-1.2688,-.005;-1.1302,4.526,.0157;1.1301,-4.526,-.0161;-.7896,-2.8334,1.2038;.7894,2.833,-1.204;-2.5477,-.6265,1.1969;2.5479,.6263,-1.1969;-2.922,-.7237,-1.2061;2.9218,.7238,1.2062;-2.1268,2.1519,1.2088;2.1269,-2.1518,-1.2088;-1.8636,1.8809,-1.1955;1.8632,-1.8809,1.1955;.6788,2.4349,1.1932;-.6787,-2.4344,-1.1932;-1.0721,-3.8314,2.1643;-1.9104,-3.5194,2.7939;-1.3341,-4.7718,1.6729;-.1974,-3.9993,2.7992;-2.3791,-.5941,2.5941;2.3795,.5939,-2.5941;-2.2113,.4313,2.9246;3.2722,.9897,-3.0866;-3.2719,-.9898,3.0867;-1.5139,-1.1955,2.8778;2.2117,-.4315,-2.9246;-3.9515,-1.0183,-2.1296;3.9515,1.0185,2.1294;-3.637,-1.829,-2.7938;4.8598,1.3277,1.6061;-4.8599,-1.3277,-1.6067;4.1799,.1349,2.7326;-4.1797,-.1346,-2.7328;3.6373,1.8292,2.7935;-2.8606,2.9377,2.1273;2.861,-2.9379,-2.1269;-3.5075,2.2985,2.7353;3.4842,-3.6643,-1.5992;-2.1757,3.4789,2.7869;3.5083,-2.2988,-2.7346;-3.4843,3.664,1.5999;2.1763,-3.479,-2.7869;-1.7311,1.7642,-2.5921;1.731,-1.7643,2.5922;-2.2693,2.5777,-3.0868;2.2697,-2.5777,3.0866;.6768,-1.8079,2.8707;-2.1382,.8097,-2.9265;2.1378,-.8097,2.9266;.6229,2.2258,2.5853;-.6228,-2.2256,-2.5853;-.39,1.9429,2.8748;-.908,-3.1405,-3.1124;1.3025,1.4194,2.8642;.39,-1.9422,-2.8748;.9087,3.1405,3.1126;-1.3028,-1.4196,-2.8645;3.3142,3.2626,.009;1.072,3.8311,-2.1645;.1973,3.9988,-2.7996;1.9104,3.5192,-2.7939;1.3337,4.7715,-1.673;1.5142,1.1952,-2.8779;-.6768,1.8072,-2.8704;/R:/0/N:24,59,28,35,44,52,43,51,29,36,58,67,7,11,8,9,10,66,12,23,14,16,19,21,18,20,15,17,22,13,1,6,3,4,5,2/E:(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)/CRV:13.1,14.1,15.1,16.1,17.1,18.1,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3 disp3 c1 c1(z) v o c h 6 18 12 36 92 46 46 8 45 31 31 6 def2-TZVP def2-TZVP def2-TZVP def2-TZVP [6s4p4d1f|17s11p7d1f] [5s3p2d1f|11s6p2d1f] [5s3p2d1f|11s6p2d1f] [3s1p|5s1p] c1 c1(z) c1 c1(z) v o c h 6 18 12 36 92 46 46 8 45 31 31 6 def2-TZVP def2-TZVP def2-TZVP def2-TZVP [6s4p4d1f|17s11p7d1f] [5s3p2d1f|11s6p2d1f] [5s3p2d1f|11s6p2d1f] [3s1p|5s1p] c1 c1(z) rdgrad node019.lawrence TURBOMOLE 9 Jul 2018 at 10:31:25 7.3 Local memory allocated for RDGRAD: 8 MiB statpt node019.lawrence TURBOMOLE 1 Jul 2018 at 20:38:15 7.3 2023-07-10T20:26:51.480 737.7666000000005 AuxInfo=1/0/N:24,12;67,13;28,14;29,15;35,16;36,17;43,18;44,19;51,20;52,21;58,22;59,23;7;8;9;10;11;66;1;2;3;4;5;6/CRV:12*2.1;;;;;;;;;;;;/rA:72nVVVVVVO1O1O1O1O1O3O3O3O3O3O3O3O3O3O3O3O3CHHHCCHHHHHCCHHHHHHCCHHHHHHCCHHHHHCCHHHHHHO1CHHHHH/rB:;;;;;s1;s3;s4;s5;s6;s1s6;s2s5;s1s3;s2s4;s1s3;s2s4;s3s5;s4s6;s3s5;s4s6;s2s5;s1s6;s12;s24;s24;s24;s14;s15;s28;s29;s28;s28;s29;s16;s17;s35;s36;s35;s36;s35;s36;s18;s19;s43;s44;s43;s44;s43;s44;s20;s21;s51;s52;s52;s51;s52;s22;s23;s58;s59;s58;s59;s58;s59;s2;s13;s67;s67;s67;s29;s51;/rC:-2.2178,-2.1482,-.0028;2.2176,2.1481,.0027;-3.0417,.8562,.002;3.0415,-.8563,-.0017;-.7833,3.0013,.0058;.7833,-3.0014,-.0059;-3.3143,-3.2627,-.0093;-4.5497,1.2685,.006;4.5495,-1.2687,-.005;-1.1303,4.526,.0157;1.1301,-4.526,-.0161;-.7896,-2.8335,1.2038;.7894,2.833,-1.204;-2.5477,-.6265,1.1969;2.548,.6263,-1.1969;-2.922,-.7237,-1.2061;2.9217,.7238,1.2062;-2.1268,2.1518,1.2088;2.1269,-2.1519,-1.2088;-1.8636,1.8809,-1.1955;1.8632,-1.8809,1.1955;.6788,2.4349,1.1932;-.6787,-2.4343,-1.1932;-1.0721,-3.8314,2.1643;-1.9104,-3.5194,2.7939;-1.3341,-4.7718,1.6729;-.1974,-3.9992,2.7993;-2.3791,-.5941,2.5941;2.3795,.5939,-2.5941;-2.2114,.4313,2.9247;3.2722,.9898,-3.0866;-3.2718,-.9899,3.0867;-1.5138,-1.1954,2.8778;2.2118,-.4315,-2.9246;-3.9515,-1.0183,-2.1296;3.9515,1.0185,2.1294;-3.637,-1.8288,-2.7939;4.8598,1.3278,1.6061;-4.8599,-1.3277,-1.6067;4.1799,.1348,2.7325;-4.1798,-.1346,-2.7327;3.6373,1.8291,2.7936;-2.8606,2.9377,2.1273;2.8611,-2.9379,-2.1268;-3.5076,2.2985,2.7352;3.4842,-3.6644,-1.5991;-2.1757,3.4788,2.787;3.5085,-2.2989,-2.7345;-3.4842,3.6641,1.5999;2.1764,-3.479,-2.7869;-1.7311,1.7642,-2.5921;1.731,-1.7643,2.5922;-2.2692,2.5778,-3.0868;2.2696,-2.5777,3.0866;.6767,-1.8078,2.8706;-2.1384,.8097,-2.9266;2.1378,-.8097,2.9266;.6229,2.2259,2.5853;-.6228,-2.2256,-2.5854;-.3899,1.9429,2.8748;-.908,-3.1406,-3.1123;1.3026,1.4194,2.8642;.3899,-1.9422,-2.8749;.9087,3.1405,3.1125;-1.3029,-1.4196,-2.8646;3.3142,3.2626,.0089;1.072,3.8311,-2.1645;.1973,3.9988,-2.7996;1.9104,3.5192,-2.7939;1.3337,4.7715,-1.673;1.5142,1.1952,-2.8779;-.6768,1.8071,-2.8704;/R:/0/N:24,59,28,35,44,52,43,51,29,36,58,67,7,11,8,9,10,66,12,23,14,16,19,21,18,20,15,17,22,13,1,6,3,4,5,2/E:(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)/CRV:13.1,14.1,15.1,16.1,17.1,18.1,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3 -0.00004684 -0.00004321 -0.00000094 -0.00003629 -0.00004559 -0.00000120 ridft node019.lawrence TURBOMOLE 9 Jul 2018 at 10:31:25 7.3 2023-07-10T20:26:53.483 737.7666000000005 AuxInfo=1/0/N:24,12;67,13;28,14;29,15;35,16;36,17;43,18;44,19;51,20;52,21;58,22;59,23;7;8;9;10;11;66;1;2;3;4;5;6/CRV:12*2.1;;;;;;;;;;;;/rA:72nVVVVVVO1O1O1O1O1O3O3O3O3O3O3O3O3O3O3O3O3CHHHCCHHHHHCCHHHHHHCCHHHHHHCCHHHHHCCHHHHHHO1CHHHHH/rB:;;;;;s1;s3;s4;s5;s6;s1s6;s2s5;s1s3;s2s4;s1s3;s2s4;s3s5;s4s6;s3s5;s4s6;s2s5;s1s6;s12;s24;s24;s24;s14;s15;s28;s29;s28;s28;s29;s16;s17;s35;s36;s35;s36;s35;s36;s18;s19;s43;s44;s43;s44;s43;s44;s20;s21;s51;s52;s52;s51;s52;s22;s23;s58;s59;s58;s59;s58;s59;s2;s13;s67;s67;s67;s29;s51;/rC:-2.2177,-2.1482,-.0028;2.2176,2.1481,.0028;-3.0417,.8562,.0019;3.0416,-.8563,-.0017;-.7833,3.0013,.0058;.7833,-3.0014,-.0059;-3.3142,-3.2628,-.0093;-4.5497,1.2686,.0059;4.5495,-1.2688,-.005;-1.1302,4.526,.0157;1.1301,-4.526,-.0161;-.7896,-2.8334,1.2038;.7894,2.833,-1.204;-2.5477,-.6265,1.1969;2.5479,.6263,-1.1969;-2.922,-.7237,-1.2061;2.9218,.7238,1.2062;-2.1268,2.1519,1.2088;2.1269,-2.1518,-1.2088;-1.8636,1.8809,-1.1955;1.8632,-1.8809,1.1955;.6788,2.4349,1.1932;-.6787,-2.4344,-1.1932;-1.0721,-3.8314,2.1643;-1.9104,-3.5194,2.7939;-1.3341,-4.7718,1.6729;-.1974,-3.9993,2.7992;-2.3791,-.5941,2.5941;2.3795,.5939,-2.5941;-2.2113,.4313,2.9246;3.2722,.9897,-3.0866;-3.2719,-.9898,3.0867;-1.5139,-1.1955,2.8778;2.2117,-.4315,-2.9246;-3.9515,-1.0183,-2.1296;3.9515,1.0185,2.1294;-3.637,-1.829,-2.7938;4.8598,1.3277,1.6061;-4.8599,-1.3277,-1.6067;4.1799,.1349,2.7326;-4.1797,-.1346,-2.7328;3.6373,1.8292,2.7935;-2.8606,2.9377,2.1273;2.861,-2.9379,-2.1269;-3.5075,2.2985,2.7353;3.4842,-3.6643,-1.5992;-2.1757,3.4789,2.7869;3.5083,-2.2988,-2.7346;-3.4843,3.664,1.5999;2.1763,-3.479,-2.7869;-1.7311,1.7642,-2.5921;1.731,-1.7643,2.5922;-2.2693,2.5777,-3.0868;2.2697,-2.5777,3.0866;.6768,-1.8079,2.8707;-2.1382,.8097,-2.9265;2.1378,-.8097,2.9266;.6229,2.2258,2.5853;-.6228,-2.2256,-2.5853;-.39,1.9429,2.8748;-.908,-3.1405,-3.1124;1.3025,1.4194,2.8642;.39,-1.9422,-2.8748;.9087,3.1405,3.1126;-1.3028,-1.4196,-2.8645;3.3142,3.2626,.009;1.072,3.8311,-2.1645;.1973,3.9988,-2.7996;1.9104,3.5192,-2.7939;1.3337,4.7715,-1.673;1.5142,1.1952,-2.8779;-.6768,1.8072,-2.8704;/R:/0/N:24,59,28,35,44,52,43,51,29,36,58,67,7,11,8,9,10,66,12,23,14,16,19,21,18,20,15,17,22,13,1,6,3,4,5,2/E:(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)/CRV:13.1,14.1,15.1,16.1,17.1,18.1,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3 -0.00004683 -0.00004861 0.00000423 -0.00003630 -0.00005051 0.00000340 rdgrad node019.lawrence TURBOMOLE 9 Jul 2018 at 10:31:25 7.3 2023-07-10T20:25:21.691 statpt node019.lawrence TURBOMOLE 1 Jul 2018 at 20:38:15 7.3 2023-07-10T20:26:51.480 737.7666000000005 AuxInfo=1/0/N:24,12;67,13;28,14;29,15;35,16;36,17;43,18;44,19;51,20;52,21;58,22;59,23;7;8;9;10;11;66;1;2;3;4;5;6/CRV:12*2.1;;;;;;;;;;;;/rA:72nVVVVVVO1O1O1O1O1O3O3O3O3O3O3O3O3O3O3O3O3CHHHCCHHHHHCCHHHHHHCCHHHHHHCCHHHHHCCHHHHHHO1CHHHHH/rB:;;;;;s1;s3;s4;s5;s6;s1s6;s2s5;s1s3;s2s4;s1s3;s2s4;s3s5;s4s6;s3s5;s4s6;s2s5;s1s6;s12;s24;s24;s24;s14;s15;s28;s29;s28;s28;s29;s16;s17;s35;s36;s35;s36;s35;s36;s18;s19;s43;s44;s43;s44;s43;s44;s20;s21;s51;s52;s52;s51;s52;s22;s23;s58;s59;s58;s59;s58;s59;s2;s13;s67;s67;s67;s29;s51;/rC:-2.2178,-2.1482,-.0028;2.2176,2.1481,.0027;-3.0417,.8562,.002;3.0415,-.8563,-.0017;-.7833,3.0013,.0058;.7833,-3.0014,-.0059;-3.3143,-3.2627,-.0093;-4.5497,1.2685,.006;4.5495,-1.2687,-.005;-1.1303,4.526,.0157;1.1301,-4.526,-.0161;-.7896,-2.8335,1.2038;.7894,2.833,-1.204;-2.5477,-.6265,1.1969;2.548,.6263,-1.1969;-2.922,-.7237,-1.2061;2.9217,.7238,1.2062;-2.1268,2.1518,1.2088;2.1269,-2.1519,-1.2088;-1.8636,1.8809,-1.1955;1.8632,-1.8809,1.1955;.6788,2.4349,1.1932;-.6787,-2.4343,-1.1932;-1.0721,-3.8314,2.1643;-1.9104,-3.5194,2.7939;-1.3341,-4.7718,1.6729;-.1974,-3.9992,2.7993;-2.3791,-.5941,2.5941;2.3795,.5939,-2.5941;-2.2114,.4313,2.9247;3.2722,.9898,-3.0866;-3.2718,-.9899,3.0867;-1.5138,-1.1954,2.8778;2.2118,-.4315,-2.9246;-3.9515,-1.0183,-2.1296;3.9515,1.0185,2.1294;-3.637,-1.8288,-2.7939;4.8598,1.3278,1.6061;-4.8599,-1.3277,-1.6067;4.1799,.1348,2.7325;-4.1798,-.1346,-2.7327;3.6373,1.8291,2.7936;-2.8606,2.9377,2.1273;2.8611,-2.9379,-2.1268;-3.5076,2.2985,2.7352;3.4842,-3.6644,-1.5991;-2.1757,3.4788,2.787;3.5085,-2.2989,-2.7345;-3.4842,3.6641,1.5999;2.1764,-3.479,-2.7869;-1.7311,1.7642,-2.5921;1.731,-1.7643,2.5922;-2.2692,2.5778,-3.0868;2.2696,-2.5777,3.0866;.6767,-1.8078,2.8706;-2.1384,.8097,-2.9266;2.1378,-.8097,2.9266;.6229,2.2259,2.5853;-.6228,-2.2256,-2.5854;-.3899,1.9429,2.8748;-.908,-3.1406,-3.1123;1.3026,1.4194,2.8642;.3899,-1.9422,-2.8749;.9087,3.1405,3.1125;-1.3029,-1.4196,-2.8646;3.3142,3.2626,.0089;1.072,3.8311,-2.1645;.1973,3.9988,-2.7996;1.9104,3.5192,-2.7939;1.3337,4.7715,-1.673;1.5142,1.1952,-2.8779;-.6768,1.8071,-2.8704;/R:/0/N:24,59,28,35,44,52,43,51,29,36,58,67,7,11,8,9,10,66,12,23,14,16,19,21,18,20,15,17,22,13,1,6,3,4,5,2/E:(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)/CRV:13.1,14.1,15.1,16.1,17.1,18.1,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3 -0.00004684 -0.00004321 -0.00000094 -0.00003629 -0.00004559 -0.00000120 ridft 2023-07-10T20:26:53.483 -0.00004683 -0.00004861 0.00000423 -0.00003630 -0.00005051 0.00000340 2023-07-10T20:29:03.241 -19.93 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 101.57 103.28 112.64 114.16 117.46 123.28 125.95 127.01 132.68 135.67 137.82 140.75 141.45 143.18 144.78 145.73 148.55 155.98 157.45 157.51 158.14 159.37 163.11 164.87 165.85 166.15 167.92 168.81 173.22 174.58 175.86 187.28 189.32 201.91 209.08 226.33 229.47 230.95 231.45 231.48 241.02 245.36 255.84 263.36 268.61 272.38 272.96 274.71 275.04 281.16 281.57 298.50 312.75 313.95 325.85 344.78 354.29 355.03 366.85 417.41 417.76 425.61 427.17 427.82 458.08 459.17 472.85 478.31 479.03 481.36 488.73 490.59 494.05 499.21 500.14 533.81 537.87 595.01 597.12 599.33 609.62 610.47 1083.31 1084.51 1085.18 1090.08 1091.18 1096.70 1102.95 1107.16 1107.34 1109.17 1109.45 1115.21 1123.81 1124.35 1131.18 1139.54 1140.61 1158.07 1174.11 1174.18 1174.20 1174.36 1176.46 1176.69 1180.32 1180.35 1180.46 1180.53 1180.85 1180.92 1196.74 1197.67 1202.40 1202.58 1202.74 1202.91 1203.74 1203.74 1203.95 1204.65 1205.64 1205.72 1456.88 1457.11 1458.87 1458.93 1465.56 1466.23 1476.28 1476.46 1477.07 1477.37 1477.52 1477.75 1478.19 1479.52 1481.51 1481.55 1481.66 1481.67 1485.54 1485.66 1485.82 1485.99 1488.25 1488.45 1493.77 1494.35 1496.66 1496.94 1497.16 1497.29 1507.10 1507.63 1507.66 1508.19 1516.35 1516.40 3024.23 3024.28 3024.82 3024.90 3026.82 3026.92 3042.90 3043.11 3043.24 3043.53 3044.95 3045.73 3100.19 3100.30 3100.72 3100.76 3103.16 3103.23 3108.50 3108.52 3109.13 3109.17 3110.31 3110.34 3120.00 3120.11 3120.98 3121.10 3124.09 3124.13 3141.89 3141.89 3144.65 3144.68 3144.90 3144.93 0.00000 0 0 0 0 0 0 0.08701 0.00001 0.00004 0.02215 0.24227 1.32537 0.00008 1.73237 1.07180 0.00049 0.00010 5.40405 0.00000 0.00000 4.83728 0.00000 0.31484 0.00001 0.00017 0.00000 0.00000 0.04613 0.07226 0.04828 0.36364 0.00001 0.00001 0.00005 0.11048 0.82232 0.00022 1.73673 0.00024 6.67681 0.00003 14.32519 0.00192 0.00045 0.67595 0.00005 0.00014 4.52892 0.00072 3.78733 1.66722 2.06486 2.14154 0.00000 0.00002 1.06426 0.00011 0.05629 0.79618 0.00000 0.00000 0.02257 0.15080 0.00000 0.00003 0.00004 3.27240 3.51564 0.16831 0.10093 0.00001 25.70736 26.77557 0.00000 0.00000 0.00000 0.00001 7.66771 0.03819 0.03419 0.00004 1.14894 0.63853 0.00001 0.00000 0.27317 0.00002 0.00009 0.00007 24.71391 24.55693 5.35289 0.00003 0.00005 0.00004 282.98867 937.36291 854.68570 133.58380 0.00018 0.00006 0.00730 34.38305 33.55925 0.00290 0.00621 639.94797 0.38002 0.00057 0.00043 503.58555 506.87484 0.00013 0.00151 0.00023 742.58510 354.47159 332.79547 0.00006 0.09852 0.00734 0.15140 0.00000 0.00175 21.51212 0.11420 0.00617 0.21008 0.00039 0.00692 1.09963 0.06103 0.00000 0.00126 9.36859 0.00762 5.81111 0.19649 0.55645 0.00002 0.83081 0.00035 2.78054 0.00000 0.66599 0.39572 0.00211 0.00000 0.24898 0.00031 0.00022 2.81031 9.92456 0.00140 11.12212 11.39125 0.00034 0.04350 3.92484 14.09545 2.09961 1.56058 0.00117 9.34741 0.00090 4.45398 0.00178 0.00000 0.04060 0.00006 22.28055 0.00589 13.16121 0.46248 0.00098 0.57289 0.00012 0.01466 1.21102 0.00700 124.09249 90.78775 0.51639 93.42568 0.44763 0.00055 0.00015 13.08499 2.95050 317.02453 0.00003 0.01761 41.28523 4.50888 44.89638 0.63904 52.46109 0.05555 30.77258 4.77340 27.38599 5.32648 25.02678 0.00039 49.25677 0.00427 45.34004 9.49253 0.01624 0.20481 2.48690 0.02431 29.13330 3.97521 20.57564 -7495.549145210 2023-07-10T20:26:51.716 737.7666000000005 AuxInfo=1/0/N:24,12;67,13;28,14;29,15;35,16;36,17;43,18;44,19;51,20;52,21;58,22;59,23;7;8;9;10;11;66;1;2;3;4;5;6/CRV:12*2.1;;;;;;;;;;;;/rA:72nVVVVVVO1O1O1O1O1O3O3O3O3O3O3O3O3O3O3O3O3CHHHCCHHHHHCCHHHHHHCCHHHHHHCCHHHHHCCHHHHHHO1CHHHHH/rB:;;;;;s1;s3;s4;s5;s6;s1s6;s2s5;s1s3;s2s4;s1s3;s2s4;s3s5;s4s6;s3s5;s4s6;s2s5;s1s6;s12;s24;s24;s24;s14;s15;s28;s29;s28;s28;s29;s16;s17;s35;s36;s35;s36;s35;s36;s18;s19;s43;s44;s43;s44;s43;s44;s20;s21;s51;s52;s52;s51;s52;s22;s23;s58;s59;s58;s59;s58;s59;s2;s13;s67;s67;s67;s29;s51;/rC:-2.2177,-2.1482,-.0028;2.2176,2.1481,.0028;-3.0417,.8562,.0019;3.0416,-.8563,-.0017;-.7833,3.0013,.0058;.7833,-3.0014,-.0059;-3.3142,-3.2628,-.0093;-4.5497,1.2686,.0059;4.5495,-1.2688,-.005;-1.1302,4.526,.0157;1.1301,-4.526,-.0161;-.7896,-2.8334,1.2038;.7894,2.833,-1.204;-2.5477,-.6265,1.1969;2.5479,.6263,-1.1969;-2.922,-.7237,-1.2061;2.9218,.7238,1.2062;-2.1268,2.1519,1.2088;2.1269,-2.1518,-1.2088;-1.8636,1.8809,-1.1955;1.8632,-1.8809,1.1955;.6788,2.4349,1.1932;-.6787,-2.4344,-1.1932;-1.0721,-3.8314,2.1643;-1.9104,-3.5194,2.7939;-1.3341,-4.7718,1.6729;-.1974,-3.9993,2.7992;-2.3791,-.5941,2.5941;2.3795,.5939,-2.5941;-2.2113,.4313,2.9246;3.2722,.9897,-3.0866;-3.2719,-.9898,3.0867;-1.5139,-1.1955,2.8778;2.2117,-.4315,-2.9246;-3.9515,-1.0183,-2.1296;3.9515,1.0185,2.1294;-3.637,-1.829,-2.7938;4.8598,1.3277,1.6061;-4.8599,-1.3277,-1.6067;4.1799,.1349,2.7326;-4.1797,-.1346,-2.7328;3.6373,1.8292,2.7935;-2.8606,2.9377,2.1273;2.861,-2.9379,-2.1269;-3.5075,2.2985,2.7353;3.4842,-3.6643,-1.5992;-2.1757,3.4789,2.7869;3.5083,-2.2988,-2.7346;-3.4843,3.664,1.5999;2.1763,-3.479,-2.7869;-1.7311,1.7642,-2.5921;1.731,-1.7643,2.5922;-2.2693,2.5777,-3.0868;2.2697,-2.5777,3.0866;.6768,-1.8079,2.8707;-2.1382,.8097,-2.9265;2.1378,-.8097,2.9266;.6229,2.2258,2.5853;-.6228,-2.2256,-2.5853;-.39,1.9429,2.8748;-.908,-3.1405,-3.1124;1.3025,1.4194,2.8642;.39,-1.9422,-2.8748;.9087,3.1405,3.1126;-1.3028,-1.4196,-2.8645;3.3142,3.2626,.009;1.072,3.8311,-2.1645;.1973,3.9988,-2.7996;1.9104,3.5192,-2.7939;1.3337,4.7715,-1.673;1.5142,1.1952,-2.8779;-.6768,1.8072,-2.8704;/R:/0/N:24,59,28,35,44,52,43,51,29,36,58,67,7,11,8,9,10,66,12,23,14,16,19,21,18,20,15,17,22,13,1,6,3,4,5,2/E:(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)/CRV:13.1,14.1,15.1,16.1,17.1,18.1,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3 a 1416 198 1416 198 yes 0.0000001 0.0000010 yes 0.0000647 0.0005000 yes 0.0000124 0.0005000 yes 0.0003220 0.0010000 yes 0.0000865 0.0001000 a 1416 198 1416 198 9395.491235425 -0.096281880 194a|195a|196a|197a|198a|199a|200a|201a|202a|203a -0.25654 -0.25523 -0.25333 -0.25085 -0.25015 -0.04823 -0.04820 -0.04804 -0.04785 -0.04739 -6.9809 -6.9453 -6.8936 -6.8261 -6.8069 -1.3124 -1.3115 -1.3071 -1.3022 -1.2897 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 alpha 188a|189a|190a|191a|192a|193a|194a|195a|196a|197a -0.31359 -0.31141 -0.30943 -0.30842 -0.30717 -0.05152 -0.04205 -0.04196 -0.03027 -0.02926 -8.5333 -8.4739 -8.4201 -8.3926 -8.3587 -1.4018 -1.1442 -1.1418 -0.8237 -0.7962 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 beta 12.07664290 390.000000 -390.000000 -0.000000 6.000000 -0.014156 0.014383 0.000227 -0.019698 0.019393 -0.000305 0.001326 -0.001158 0.000168 0.0011 -210.373522 53.092157 8000.853596 -8228.476308 -227.622712 7777.078015 -8005.587453 -228.509438 2895.565903 -3070.554319 -174.988416 -97.402437 97.036472 -0.365965 -6.431171 6.370845 -0.060326 -7.716420 7.293394 -0.423026 a 1416 198 1416 198 yes 0.0000001 0.0000010 yes 0.0000647 0.0005000 yes 0.0000124 0.0005000 yes 0.0003220 0.0010000 yes 0.0000865 0.0001000 a 1416 198 1416 198 9395.491235425 -0.096281880 194a|195a|196a|197a|198a|199a|200a|201a|202a|203a -0.25654 -0.25523 -0.25333 -0.25085 -0.25015 -0.04823 -0.04820 -0.04804 -0.04785 -0.04739 -6.9809 -6.9453 -6.8936 -6.8261 -6.8069 -1.3124 -1.3115 -1.3071 -1.3022 -1.2897 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 alpha 188a|189a|190a|191a|192a|193a|194a|195a|196a|197a -0.31359 -0.31141 -0.30943 -0.30842 -0.30717 -0.05152 -0.04205 -0.04196 -0.03027 -0.02926 -8.5333 -8.4739 -8.4201 -8.3926 -8.3587 -1.4018 -1.1442 -1.1418 -0.8237 -0.7962 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 beta 12.07664290 390.000000 -390.000000 -0.000000 6.000000 -0.014156 0.014383 0.000227 -0.019698 0.019393 -0.000305 0.001326 -0.001158 0.000168 0.0011 -210.373522 53.092157 8000.853596 -8228.476308 -227.622712 7777.078015 -8005.587453 -228.509438 2895.565903 -3070.554319 -174.988416 -97.402437 97.036472 -0.365965 -6.431171 6.370845 -0.060326 -7.716420 7.293394 -0.423026 alpha a 1-198 beta a 1-192