TURBOMOLE 7.8.1 26 Feb 2024 at 17:12:58 argon-itf-cf44-04.hpc Memory allocated for RI-J 928 MByte 2026-05-07T03:09:37.918 u 1 u def-TZVP u def-ecp p 2-4 p def2-TZVP n 5-10,12-15,17,25 n def2-TZVP c 11,16,18,21,26,29,33,37-38,41,43,47-48,50,54-55,59,62,66,69,73,77-78,82,85, c def2-TZVP h 19-20,22-24,27-28,30-32,34-36,39-40,42,44-46,49,51-53,56-58,60-61,63-65, h def2-TZVP uhf dft tpss m4 rij p n c h u def2-TZVP def2-TZVP def2-TZVP def2-TZVP def-TZVP 5s5p2d1f 5s3p2d1f 5s3p2d1f 3s1p 10s9p5d4f1g 1087.5548930000023 AuxInfo=1/0/N:73,92,21,43,50,33,55,62,38,18,26,59,16,47,6,8,9,10,2;78,129,29,69,88,96,109,120,82,85,117,106,37,54,7,13,14,12,3;157,165,100,113,161,133,140,150,144,154,147,137,124,77,5,15,25,17,4;66,125,104,127,41,48,11;1/E:3*(1,2)(3,4,5,6,7,8)(9,10)(11,12)(13,14)(17,18);(3,4)(5,6);/CRV:3*15.1,19.4;1.3,2.3,3.3,4.3,5.3,6.3,7.3;/rA:168nUP4P4P4N2N2N2NNNC3NNNNCNCHHCHHHNCHHCHHHCHHHCCHHC3HCHHHCC3HCHHHCCHHHCHHCHHHCHHCHHHCHHHCCHHHCHHCHHCHHHCHHHCHHHCHHHC3HCHHCHHHCHHHCHHCHHHCC3HC3HCHHHCHHHCHHCHHHCHHCHHCHHHCHHCHHHCHHHCHHH/rB:;;;s1s4;s1s2;s1s3;s2;s2;s2;;s3;s3;s3;s4;s9;s4;s8;s18;s18;s16;s21;s21;s21;s4;s9;s26;s26;;s29;s29;s29;;s33;s33;s33;s14s29;s8;s38;s38;s11;s41;s16;s43;s43;s43;s10s33;s11;s48;s16;s50;s50;s50;s12;s47;s55;s55;s55;s10s26;s59;s59;s47;s62;s62;s62;s1s11;s66;s66;s37;s69;s69;s69;s38;s73;s73;s73;s17;;s78;s78;s78;s13s78;s82;s82;s13;s85;s85;s37;s88;s88;s88;s18;s92;s92;s92;s54;s96;s96;s96;;s100;s100;s100;s41;s104;s12;s106;s106;s54;s109;s109;s109;;s113;s113;s113;s14s106;s117;s117;s54;s120;s120;s120;s25s100s113;s104;s125;s48s125;s127;s85;s129;s129;s129;s77;s133;s133;s133;s17;s137;s137;s77;s140;s140;s140;s15;s144;s144;s25s137;s147;s147;s77;s150;s150;s150;s15;s154;s154;s144;s157;s157;s157;s124;s161;s161;s161;s154;s165;s165;s165;/rC:6.4258,9.543,5.3755;5.1724,11.1308,2.2547;4.1107,10.2789,8.1237;7.3474,5.9986,4.835;6.9118,7.4849,5.0383;5.7324,10.4575,3.5528;4.9609,9.7498,6.9251;5.4697,10.1703,.9128;5.6606,12.7097,1.9209;3.5202,11.5241,2.1466;9.3369,11.3424,5.9681;3.5254,11.8554,8.0684;4.9574,10.1403,9.5648;2.552,9.6214,8.3824;7.802,5.3078,6.2942;7.0424,13.2244,2.1447;8.5392,5.6853,3.6763;6.3931,9.033,.9676;6.5416,8.8057,2.0254;7.375,9.3135,.5555;7.3062,14.3841,1.1672;7.1714,14.0572,.1305;8.3367,14.7332,1.29;6.643,15.2359,1.3511;6.2592,4.888,4.14;4.5485,13.657,1.8304;4.3602,13.9403,.7833;4.7645,14.5722,2.3929;3.476,7.3566,8.7742;3.2649,6.2875,8.6703;3.6309,7.5777,9.8331;4.3965,7.577,8.2264;2.2091,10.6788,4.1108;1.8854,11.6823,4.4064;3.121,10.4309,4.6629;1.4209,9.9759,4.4019;2.2953,8.1586,8.204;5.0028,10.6175,-.4055;4.286,11.4246,-.2321;4.439,9.8009,-.8797;10.1398,11.1078,4.8257;10.1803,10.1023,4.4123;7.1933,13.7089,3.5979;6.4767,14.5083,3.8212;8.2027,14.089,3.7803;7.0132,12.8787,4.286;2.4437,10.5876,2.5896;9.3225,12.6689,6.4615;8.7285,12.8904,7.3454;8.0692,12.1153,1.8637;7.9217,11.261,2.5293;9.0734,12.5076,2.0452;8.0039,11.7731,.8267;4.3106,13.0634,7.6953;1.1485,10.9479,1.838;1.3194,10.9354,.7566;.7711,11.936,2.1214;.3686,10.217,2.0777;3.3301,12.9527,2.4316;3.2758,13.1515,3.5115;2.4067,13.3146,1.9689;2.8249,9.1435,2.2302;2.0238,8.4737,2.5602;3.749,8.8441,2.7315;2.9566,9.0286,1.151;8.5378,10.2768,6.5826;8.2595,10.5008,7.619;9.0524,9.3042,6.5597;2.1162,7.7932,6.716;1.2503,8.3017,6.2796;1.9516,6.7154,6.6142;3.0106,8.071,6.1517;6.1132,11.0946,-1.3464;5.6857,11.3815,-2.314;6.8562,10.3105,-1.5289;6.6261,11.9629,-.9241;9.7663,6.5055,3.4821;3.8407,9.6852,11.7846;3.004,9.1404,11.339;3.4828,10.1916,12.6885;4.606,8.9628,12.0882;4.3936,10.7139,10.7931;3.5969,11.3991,10.4923;5.1641,11.3268,11.282;6.1552,9.3036,9.6921;6.4178,8.9895,8.6792;5.9238,8.3918,10.2642;1.0254,7.7894,8.9915;1.1254,8.0848,10.0411;.8665,6.7065,8.947;.1332,8.2705,8.5774;5.8723,7.7919,.239;5.7329,7.967,-.8334;4.9184,7.4609,.6609;6.5994,6.9797,.345;4.1863,13.3073,6.1791;4.7337,14.2093,5.8838;3.1362,13.4402,5.8942;4.5887,12.4547,5.6225;4.6817,5.034,6.0448;5.245,4.2654,6.5807;3.6256,4.9486,6.3193;5.0376,6.0191,6.3574;10.8832,12.1222,4.2299;11.4936,11.8947,3.3581;2.0674,11.9465,8.1411;1.6796,12.6506,7.3959;1.7438,12.2942,9.1349;5.79,12.8834,8.0663;6.2251,12.0096,7.5733;5.9119,12.7676,9.1469;6.3459,13.7686,7.7418;4.0225,5.9796,3.8207;2.9753,5.9626,4.1406;4.0392,5.8642,2.7318;4.4526,6.9523,4.0749;1.5344,10.5414,7.8586;.5773,10.3837,8.3657;1.3778,10.4121,6.778;3.7673,14.2747,8.4766;4.3765,15.1563,8.2515;3.8142,14.0886,9.5551;2.7322,14.5082,8.2075;4.8129,4.8586,4.5255;10.8547,13.4243,4.7391;11.4388,14.2149,4.2764;10.0646,13.6831,5.8637;10.0317,14.6868,6.2829;7.341,10.0252,10.3378;7.5768,10.9478,9.7997;8.2234,9.3771,10.3064;7.1503,10.2758,11.3871;10.2642,7.0283,4.8387;10.5381,6.2044,5.5026;9.4971,7.6335,5.3285;11.146,7.6582,4.6835;8.0904,4.8002,2.6019;8.3727,5.1948,1.6184;8.5399,3.8006,2.7043;10.8693,5.6261,2.8656;11.7929,6.2083,2.7813;10.6048,5.2762,1.8625;11.0682,4.7534,3.4964;8.1498,3.8816,6.3517;7.6493,3.4348,7.2221;7.7121,3.4118,5.4667;6.5662,4.7265,2.7122;6.1999,3.7613,2.3498;6.1053,5.5188,2.1054;9.4586,7.6977,2.5544;8.6998,8.3373,3.0145;9.0776,7.3533,1.5863;10.3597,8.2934,2.3697;8.0912,6.1256,7.4785;7.8449,7.1558,7.2112;9.169,6.0982,7.6989;9.6525,3.5874,6.412;10.148,3.9458,5.5056;9.8186,2.5069,6.4926;10.1267,4.063,7.277;4.2378,3.4832,4.1419;4.8267,2.6812,4.5995;4.222,3.3319,3.0578;3.2053,3.4061,4.4991;7.2998,5.7122,8.7226;7.5629,6.3714,9.5571;7.5228,4.6851,9.0311;6.2242,5.7942,8.5462;/R:/0/N:73,92,78,129,157,165,21,43,50,33,55,62,29,69,88,96,109,120,100,113,161,133,140,150,38,18,82,85,144,154,125,104,127,41,48,26,59,117,106,147,137,66,11,16,47,37,54,124,77,6,7,5,8,13,15,9,10,14,12,25,17,2,3,4,1/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)(32,33)(34,35)(36,37,38,39,40,41)(44,45,46,47,48,49)(50,51,52)(53,54,55)(56,57,58,59,60,61)(62,63,64)/CRV:31.3,32.3,33.3,34.3,35.3,43.3,50.2,51.2,52.2,62.4,63.4,64.4 disp3 c1 c1(z) u p n c h 1 3 12 49 103 168 63 46 46 8 99 37 31 31 6 def-TZVP def2-TZVP def2-TZVP def2-TZVP def2-TZVP [10s9p5d4f1g|14s13p10d8f1g] [5s5p2d1f|14s9p3d1f] [5s3p2d1f|11s6p2d1f] [5s3p2d1f|11s6p2d1f] [3s1p|5s1p] c1 c1(z) rdgrad argon-itf-cf44-04.hpc TURBOMOLE 26 Feb 2024 at 17:12:58 7.8.1 Memory allocated for RDGRAD: 320 MiB statpt argon-itf-cf44-04.hpc TURBOMOLE 26 Feb 2024 at 17:03:36 7.8.1 2026-05-07T03:10:37.160 521.0559930000003 AuxInfo=1/0/N:18,16,6,10,8,9,2;11;7,12,13,14,3;5,15,17,4;1/E:(3,4);;(1,2,3,4);(1,2,3);/CRV:1.3,2.1,3.1,4.1,5.2,6.2,7.4;;1.1,2.1,3.1,4.1,5.4;1.1,2.1,3.1;/rA:20nUP4P4PN2N2N2N2N2N1C0N1N1N1N1C1N1C3HH/rB:;;;s1s4;s1s2;s1s3;s2;s2;s2;;s3;s3;s3;s4;s9;s4;s8;s18;s18;/rC:6.4258,9.543,5.3755;5.1724,11.1307,2.2546;4.1107,10.2789,8.1237;7.3474,5.9986,4.835;6.9118,7.4848,5.0383;5.7323,10.4574,3.5527;4.9608,9.7498,6.925;5.4696,10.1702,.9127;5.6607,12.7096,1.9208;3.5202,11.5241,2.1465;9.3368,11.3425,5.9681;3.5254,11.8554,8.0684;4.9574,10.1403,9.5648;2.552,9.6214,8.3824;7.802,5.3078,6.2942;7.0424,13.2242,2.1447;8.5391,5.6853,3.6764;6.3931,9.0329,.9676;6.5415,8.8056,2.0254;7.3749,9.3134,.5555;/R:/0/N:18,16,15,17,12,13,14,10,8,9,5,7,6,4,3,2,1;11/E:(3,4)(5,6,7);/CRV:1.3,2.1,3.1,4.1,5.1,6.1,7.1,8.1,9.2,10.2,11.2,12.2,13.2,15.4,16.4; 11.31445862 17.79318268 9.73330375 11.24722521 17.75710799 9.71026809 ridft 2026-05-07T03:10:39.004 11.31447283 17.79319192 9.73331639 11.24723595 17.75711486 9.71027758 2026-05-07T03:12:01.820 -0.0001342045 0.0358146116 0.0012480200 0.0615290065 -0.0007869888 -0.0058777113 -0.0069966017 -0.0073608774 -0.0036440693 -0.0117523944 -0.0363949772 -0.0130385264 0.0016225183 0.0041410308 0.0136068286 -0.0522723415 -0.0085326509 -0.0227779868 -0.0029802817 0.0099654112 0.0140874852 -0.0207091663 0.0041049162 0.0006133714 0.0112911191 0.0050435789 0.0120059753 -0.0078514761 0.0219686153 -0.0074002127 -0.0142303116 0.0051739967 0.0035631832 0.0025611955 0.0144750953 0.0094038533 0.0036827812 0.0070505397 0.0126480509 -0.0134161783 0.0121805499 0.0041398927 0.0082208985 -0.0215333290 -0.0056579809 -0.0237342018 0.0179336455 0.0086227000 0.0081653998 -0.0057950576 -0.0072114763 -0.0005579649 -0.0075792927 0.0047356204 -0.0289090356 0.0100144233 -0.0121202070 0.0147895210 0.0017460317 0.0023850779 -0.0015791255 0.0000420479 -0.0040964142 0.0026567543 -0.0036018427 -0.0054696657 0.0002240193 0.0009640118 -0.0014868702 -0.0027602518 -0.0015018677 -0.0008029044 -0.0006418262 0.0015106227 0.0015104063 -0.0013752851 0.0003162677 -0.0018417094 0.0002798765 -0.0021836805 -0.0005800968 0.0055796279 0.0025823256 -0.0014091739 0.0011347843 -0.0009963050 -0.0016114737 0.0039167632 -0.0010344964 -0.0002415078 0.0013669130 -0.0023542200 0.0001842031 -0.0011991874 0.0145013974 0.0104547699 -0.0029881499 -0.0002923360 0.0027312575 0.0019852720 -0.0005344651 0.0037571528 0.0024112567 0.0029195448 -0.0088578103 -0.0015888279 0.0021823264 0.0025936932 0.0051314309 0.0000360277 -0.0007788212 -0.0001864869 -0.0011315998 0.0004704551 0.0002880509 -0.0008172770 -0.0016327981 0.0009101845 -0.0016329123 0.0000418453 -0.0013321968 -0.0000884020 -0.0002007420 0.0014907977 -0.0011825565 -0.0003811933 0.0031889990 0.0045779835 0.0025545056 -0.0007829098 0.0033366413 0.0018722074 0.0019004283 0.0006488794 0.0009508516 -0.0027230972 0.0017115342 -0.0013160129 -0.0009323257 0.0002385664 -0.0003580751 -0.0010835301 -0.0012489732 -0.0002438222 -0.0007462649 0.0012000220 0.0003619446 0.0035271257 0.0075481134 0.0043048624 0.0001918001 -0.0002455068 0.0003922626 -0.0003904396 -0.0007329968 0.0023822504 0.0008401675 0.0072576631 0.0046222533 0.0012641651 0.0000463965 -0.0011045999 -0.0005300079 -0.0009369158 0.0001939991 -0.0002277803 -0.0000804833 0.0000738910 -0.0000575736 -0.0005681615 -0.0002701190 -0.0001546665 -0.0000411413 -0.0002314664 0.0000396080 0.0001555319 -0.0007529285 -0.0012523623 0.0000408918 0.0004873494 0.0000729982 -0.0000386795 0.0000592258 0.0000464655 0.0006470853 0.0000082113 -0.0000419873 0.0001913217 -0.0000030542 -0.0000091236 0.0002487738 0.0002765220 0.0000763889 0.0000573170 0.0005037204 -0.0002399608 0.0000524472 -0.0000777000 0.0000294214 -0.0001072682 -0.0003396980 -0.0002569141 -0.0000760442 -0.0000146289 -0.0000671919 0.0000069130 0.0000186182 0.0000317694 -0.0000011274 0.0000046129 0.0001467783 0.0005022822 0.0000214454 -0.0001602698 0.0001709031 0.0001080212 -0.0001800601 0.0003445571 0.0000806214 0.0004342066 0.0001688729 -0.0000272588 -0.0000560540 0.0001679280 0.0000315309 -0.0000278374 0.0001004794 0.0000759500 -0.0000240177 0.0000010399 0.0000217182 0.0000021362 -0.0000523707 0.0000759679 0.0000522115 0.0001706238 0.0000147618 0.0003226735 -0.0002592670 0.0000385570 0.0001792354 -0.0001581819 0.0001204456 -0.0002611103 -0.0000261429 -0.0003598892 0.0002867327 -0.0002223737 -0.0026336211 -0.0002066123 0.0001133701 0.0000511573 -0.0000137243 -0.0000434919 0.0002217013 0.0002923012 0.0005136740 0.0004447925 0.0000085024 0.0019066875 0.0006120297 0.0002353158 0.0002213320 0.0002136736 0.0000529688 -0.0001988531 -0.0002310918 0.0001753480 0.0001076171 0.0003045286 0.0002568158 -0.0002375913 -0.0001493739 -0.0000283740 0.0000200372 -0.0000340725 -0.0000094076 0.0003141405 0.0000450477 -0.0000463725 -0.0000596124 -0.0004387227 0.0000580663 -0.0001307952 -0.0001758162 -0.0002605550 -0.0000303355 0.0000336331 0.0000579648 -0.0000545710 -0.0000590936 0.0000720711 -0.0000037440 -0.0000391997 0.0000463073 -0.0001417861 -0.0000540211 -0.0000284640 -0.0000473445 -0.0000387807 0.0000078742 -0.0000551753 -0.0000009808 -0.0000211301 0.0000207593 -0.0000081812 -0.0000277905 0.0000496249 -0.0000060435 -0.0000415404 -0.0000366543 0.0000415069 0.0000055379 -0.0000562401 0.0000241570 -0.0000155976 0.0000211173 0.0000332912 0.0000222977 -0.0000176449 0.0000508157 0.0000100796 -0.0000036044 0.0000149546 -0.0000419268 -0.0000038028 -0.0000544440 -0.0000047438 -0.0000250591 -0.0000093206 0.0000572617 0.0000683251 0.0000489978 -0.0000287868 0.0000423041 0.0000556286 -0.0001409327 0.0000454686 0.0000055995 0.0000055337 0.0000036816 -0.0000258495 0.0000055807 -0.0000090272 0.0000229695 0.0000379420 -0.0000269048 0.0000280419 -0.0000201654 -0.0000635613 0.0000242171 -0.0000018742 -0.0000086541 -0.0000109204 -0.0000002760 -0.0000138408 -0.0000085458 -0.0000039597 -0.0000141796 -0.0000210997 0.0000569125 -0.0000043743 -0.0000204380 -0.0000163875 0.0000840011 -0.0000317729 -0.0000081666 0.0000084873 -0.0000166935 0.0000058755 0.0000041480 -0.0000062315 -0.0000350432 -0.0000208435 0.0000059664 -0.0000128682 0.0000266196 0.0000017997 -0.0000067425 -0.0000470740 -0.0000145914 -0.0000150982 0.0000061363 -0.0000304499 0.0000001184 -0.0000066640 -0.0000026718 -0.0000006951 0.0000125581 -0.0000049102 -0.0000084446 -0.0000554202 0.0000001077 -0.0000130835 0.0000402414 0.0000496453 -0.0000147696 0.0000097066 0.0000050289 -0.0000470213 -0.0001720669 0.0000088498 0.0000021131 0.0000049427 -0.0000075877 -0.0000080098 0.0000019003 -0.0000025812 0.0000024312 0.0000029078 0.0000033267 -0.0000104807 -0.0000613849 0.0000063103 -0.0000046706 0.0000003984 0.0000063325 0.0000030018 -0.0000026804 -0.0000004723 0.0000033199 -0.0000028496 -0.0000015938 -0.0000049010 0.0000016960 0.0000005198 0.0000057485 0.0000033622 -0.0000018623 -0.0000019709 0.0000078150 -0.0000046415 0.0000030784 -0.0000050055 -0.0000029938 -0.0000064904 -0.0000010645 -0.0000082880 -0.0000004105 -0.0000087544 -0.0000016674 0.0000045224 -0.0000022289 -0.0000018335 -0.0000398832 0.0000000885 -0.0000000603 0.0000026976 0.0000016881 -0.0000017573 0.0000055444 0.0000030758 -0.0000033756 -0.0000029754 0.0000031167 0.0000009743 -0.0000023297 -0.0000006322 -0.0000029288 -0.0000038520 -0.0000011405 0.0000003635 -0.0000018308 0.0000010702 -0.0000000727 0.0000010808 -0.0000013226 0.0000025662 0.0000031753 0.0000040768 -0.0000006420 0.0000003395 -0.0000002855 -0.0000002866 -0.0000019426 -0.0000024012 0.0000090255 -0.0000077733 0.0000083412 -0.0000036499 0.0000134270 0.0000042567 0.0000017277 -0.0000040474 0.0000003558 -0.0000003840 0.0000007145 0.0000039396 0.0000009559 0.0000068729 -0.0000000779 0.0000026422 -0.0000016326 -0.0000021918 0.0000044831 -0.00 -0.00 -0.00 0.0000 0.0000 0.0000 12.11 18.00 22.42 25.79 29.75 31.29 33.46 35.06 37.38 40.50 43.37 47.77 49.84 52.78 53.58 56.09 58.44 59.83 62.93 64.37 68.35 70.12 70.62 71.76 73.21 74.53 75.81 78.75 79.67 81.94 83.87 87.73 94.70 102.32 103.19 105.80 107.35 110.30 113.24 117.84 123.39 129.88 133.11 140.47 153.80 154.12 157.68 168.89 175.66 179.75 186.77 188.34 192.17 195.62 197.25 197.65 201.03 216.64 220.30 222.12 224.22 232.86 235.77 238.66 239.48 240.93 242.80 244.41 244.89 247.00 248.93 253.39 254.86 258.31 261.51 264.24 266.10 269.30 270.76 272.15 273.95 277.96 279.54 283.39 284.04 286.11 289.71 292.67 298.59 300.08 304.45 306.19 307.79 308.22 311.52 316.90 317.63 322.18 322.69 325.50 330.56 331.75 334.08 343.99 352.75 354.75 356.72 356.95 358.35 360.16 368.90 369.21 370.62 378.81 379.24 381.70 386.60 387.20 390.11 407.25 428.26 433.33 434.38 437.67 438.07 439.42 445.14 449.88 452.63 457.80 466.45 469.64 475.74 486.85 487.36 489.68 495.86 501.91 504.19 508.10 514.26 514.69 516.69 534.50 575.81 576.86 577.27 618.19 632.69 634.08 634.90 643.27 644.33 644.88 694.76 695.65 697.35 698.84 730.74 765.52 767.29 767.43 783.77 784.88 787.65 789.31 789.61 789.81 790.31 792.59 794.46 803.33 829.05 845.39 854.00 857.33 858.14 893.65 897.86 900.20 901.25 901.41 902.47 903.69 912.63 913.21 914.31 915.95 916.21 916.32 917.85 918.18 920.60 928.24 930.22 932.08 939.11 945.24 945.91 949.22 949.51 950.31 953.09 955.04 968.81 969.39 970.50 998.22 1002.56 1004.61 1005.66 1008.17 1011.65 1013.44 1016.78 1022.05 1024.78 1028.38 1030.02 1030.41 1031.42 1032.71 1035.25 1035.84 1037.04 1040.00 1040.69 1042.38 1049.62 1052.33 1053.46 1053.98 1055.16 1055.96 1078.21 1079.69 1080.50 1092.01 1092.29 1093.31 1100.00 1106.19 1112.31 1114.72 1117.78 1123.70 1125.54 1127.04 1127.67 1144.42 1145.44 1145.83 1164.93 1176.20 1180.04 1183.40 1186.40 1189.94 1206.12 1207.98 1209.67 1213.13 1213.69 1216.94 1218.85 1219.53 1219.83 1223.93 1224.07 1224.12 1225.95 1227.43 1229.35 1229.63 1230.29 1232.80 1233.24 1242.90 1244.03 1245.11 1255.71 1256.84 1257.38 1272.02 1273.50 1274.49 1297.55 1299.67 1303.47 1325.96 1344.96 1353.01 1354.18 1356.13 1357.72 1358.48 1360.47 1361.32 1361.54 1364.84 1372.55 1374.10 1374.65 1377.12 1378.22 1379.79 1380.15 1380.39 1381.36 1381.63 1383.38 1383.75 1384.42 1386.30 1386.96 1388.25 1390.18 1390.84 1391.21 1391.48 1392.22 1393.27 1396.56 1399.29 1411.14 1412.06 1414.36 1414.75 1417.59 1418.12 1436.13 1461.11 1466.26 1467.84 1469.04 1469.52 1469.81 1470.19 1474.20 1474.88 1475.39 1476.60 1477.65 1477.97 1479.02 1480.01 1480.47 1481.49 1482.06 1483.83 1484.59 1484.75 1485.25 1487.35 1488.07 1488.23 1489.78 1490.70 1491.54 1491.72 1492.19 1492.59 1493.47 1493.79 1494.63 1495.71 1496.61 1496.94 1497.56 1497.71 1498.05 1498.33 1498.38 1499.37 1500.42 1500.93 1503.35 1503.85 1505.20 1506.19 1506.48 1507.65 1507.74 1510.06 1514.30 1514.83 1515.37 1515.71 1517.69 1519.73 1521.48 1522.93 1524.37 1567.81 1604.17 2930.57 2936.74 2938.87 2941.55 2944.38 2952.93 2961.68 2962.23 2965.14 2965.49 2969.70 2970.22 2971.44 2986.55 2990.16 2991.88 2993.64 2994.67 2995.09 2996.25 2996.76 2997.49 2998.47 2998.78 2999.01 2999.07 2999.24 2999.33 2999.46 3000.70 3002.65 3004.28 3005.26 3005.41 3006.33 3008.00 3009.19 3010.53 3010.71 3015.69 3031.42 3033.26 3036.71 3039.55 3044.39 3045.66 3047.18 3048.17 3048.42 3048.93 3050.32 3052.40 3055.13 3057.22 3058.20 3060.08 3061.07 3061.64 3062.22 3062.81 3063.09 3063.48 3063.97 3064.57 3065.32 3065.45 3065.51 3066.21 3066.30 3066.40 3066.54 3066.79 3066.88 3067.74 3067.78 3070.14 3070.48 3072.54 3072.66 3074.03 3074.21 3075.87 3077.47 3077.92 3078.68 3080.51 3081.35 3081.57 3081.76 3082.14 3082.47 3084.05 3084.84 3086.00 3087.01 3087.37 3090.96 3093.22 3104.17 3108.83 3125.41 3127.73 3145.54 0.00000 0.00000 0.00000 0 0 0 3.31548 0.63815 8.43069 20.11456 34.37526 0.29403 3.47973 2.87578 0.92651 1.35104 1.01626 9.20123 48.42437 0.88499 6.21681 22.62469 31.92336 8.29331 1.58473 22.33765 4.91876 40.06032 18.08832 2.48559 11.14976 0.60805 3.10353 6.41221 3.82922 1.56639 4.24268 28.74838 6.43391 8.50189 59.63191 3.99584 16.38181 19.33062 15.23892 18.31144 8.03082 1.10303 1.29774 3.29633 15.73079 21.12140 32.01118 9.04051 34.50561 34.67377 50.36703 2.74050 4.07420 10.97153 8.54730 28.62122 83.31464 44.06204 14.33894 26.64920 3.58672 1.43570 3.82862 27.33230 27.03754 75.45467 83.05479 25.85799 26.08474 18.84320 2.18445 8.73137 28.86469 6.03895 0.48727 52.71290 8.69162 12.91600 57.81658 22.22209 3.82869 35.77828 10.11364 1.81946 4.13194 72.35013 2.60390 10.34031 118.63463 24.08140 29.59877 31.55436 14.85197 17.09242 14.33837 42.78532 11.80985 52.91289 18.19998 67.01500 5.15235 18.10891 38.27165 2.17857 7.67384 16.53636 7.77141 31.95610 9.48115 18.12909 33.81532 5.40219 14.24211 35.09412 133.51870 98.42747 1.81762 1.59981 14.48572 274.06273 19.49401 111.82849 150.92705 67.70515 16.68293 17.60474 11.51649 9.16403 13.55870 47.66260 30.60113 19.33201 39.62854 11.01991 67.83095 20.08329 433.69875 7.33378 17.08997 6.04817 613.78092 74.75902 570.72578 69.27178 2.94605 10.95910 115.65382 4.54957 358.31849 39.47565 440.58422 1487.61058 118.94645 414.71546 3614.67684 196.42769 8.77928 69.22028 3206.56775 23.47471 1.78870 19.59660 362.03803 446.19315 150.82193 202.49863 130.87973 3.74512 447.32410 28.75541 202.22902 5015.85090 24.45858 12.31861 60.96116 13.99080 118.36105 75.71868 32.08472 129.01118 119.24223 224.18541 28.88018 132.56517 9.70746 29.70761 114.02616 121.77859 1.88609 168.58951 9.14975 23.10573 130.63618 6.51610 8.93889 18.73873 7.88027 18.10480 2.39094 12.45297 1.30868 1.79100 2.61575 0.46529 35.17112 232.49229 6.14105 11418.86161 266.31707 674.32798 586.92897 21.71076 235.91253 55.83235 160.54863 14.25710 51.37783 48.65165 37.37734 142.87769 874.98936 2892.97763 37.74863 11.09210 49.81285 68.43487 523.37029 162.80567 40.32184 46.74056 13.08564 122.97448 24.85224 6.45294 22.86198 18.72582 70.41256 5.61823 11.94382 32.04023 798.25076 92.71765 774.97935 10.85612 1.32343 18.91628 16.14588 53.37948 79.45226 71.02465 969.03285 147.12328 0.18836 135.55696 39.26968 96.03683 157.70199 6.05680 12.42770 59.83315 45.21553 44.31853 44.22309 398.57520 1455.40628 242.98124 314.61154 40.03694 453.18114 21.47523 54.48327 15.18089 749.52507 42.07665 221.27264 4922.26143 381.37406 61.80250 2.55266 542.80813 578.24475 63.74740 393.60146 187.39930 91.52492 500.94926 36.78871 2.04408 7.55645 18.60614 11.82832 139.19414 82.79766 12.73771 145.04050 186.33279 174.60488 18.92140 70.17174 20.38494 121.15135 14.97752 68.53747 78.04904 47.17252 69.33079 170.39167 42.49527 30.19560 20.30309 48.79353 34.12502 103.42097 17.85263 31.09858 112.60126 59.16683 42.96238 23.02480 97.18214 43.56686 133.85333 11.23000 156.21859 108.40523 23.23642 20.15605 140.49795 87.70105 17.49891 222.42161 118.88228 25.29147 12.26052 4.46553 1.09886 0.21876 0.69407 64.81247 16.47345 73.50088 35.97353 121.03226 41.49825 10.11572 15.01342 4.11488 1.39808 2.70997 15.48552 0.59605 16.61995 8.88688 7.44001 1.08133 7.89175 12.06035 21.39237 102.14801 26.34075 36.89195 35.85337 22.60195 29.88180 15.73256 21.76262 9.54924 58.76586 5.68029 10.70085 2.12568 91.17244 5.97194 22.93995 6.47160 10.08742 5.67010 11.10664 29.34913 12.62153 6.76372 90.81740 35.64752 27.14973 50.02908 49.84125 18.96698 12.99412 35.06625 35.93168 9.41174 353.12667 243.23991 9.37114 323.22227 42043.15440 38966.69531 19825.84745 18836.60279 27755.66294 18955.99440 10912.61132 21152.90781 19595.12616 3571.60751 44736.34879 74587.51853 18255.16734 41544.10764 37986.90829 14630.89411 19939.47351 7611.69240 5763.72150 49905.30925 99656.45512 165116.87601 27616.76822 10456.75548 53693.30819 150360.06607 36025.78161 59753.28891 146778.75991 217131.06945 122512.83568 24151.67475 85098.35279 227340.14442 46573.28351 117822.06388 279040.86143 135678.23835 246514.98263 124625.58390 20813.60404 17344.75161 8989.56254 10989.15295 8558.28787 7400.64669 13149.00261 652.12424 7021.84086 3024.91693 4175.03144 1289.33368 127.98778 54.57818 523.51494 14004.16422 397.62254 634.42178 413.42026 839.91128 5875.58420 320.51145 6363.96986 4136.82931 404.76137 1005.85627 336.71741 3011.20517 236.21483 2624.96813 116.14592 212.27348 193.47623 8062.95959 32341.26331 971.82255 707.06333 628.56069 177.20968 444.33247 382.97924 5859.76503 1546.20984 2778.55948 815.02038 2121.88315 8630.88519 4747.80275 2352.59588 5665.70086 1859.46742 250.65826 7318.10168 158.12386 246.11738 893.59156 1052.76146 445.62975 1907.15940 29.69704 54680.17882 15206.17888 223871.71781 -4089.024476899 2026-05-07T03:10:38.470 1087.5548930000023 AuxInfo=1/0/N:73,92,21,43,50,33,55,62,38,18,26,59,16,47,6,8,9,10,2;78,129,29,69,88,96,109,120,82,85,117,106,37,54,7,13,14,12,3;157,165,100,113,161,133,140,150,144,154,147,137,124,77,5,15,25,17,4;66,125,104,127,41,48,11;1/E:3*(1,2)(3,4,5,6,7,8)(9,10)(11,12)(13,14)(17,18);(3,4)(5,6);/CRV:3*15.1,19.4;1.3,2.3,3.3,4.3,5.3,6.3,7.3;/rA:168nUP4P4P4N2N2N2NNNC3NNNNCNCHHCHHHNCHHCHHHCHHHCCHHC3HCHHHCC3HCHHHCCHHHCHHCHHHCHHCHHHCHHHCCHHHCHHCHHCHHHCHHHCHHHCHHHC3HCHHCHHHCHHHCHHCHHHCC3HC3HCHHHCHHHCHHCHHHCHHCHHCHHHCHHCHHHCHHHCHHH/rB:;;;s1s4;s1s2;s1s3;s2;s2;s2;;s3;s3;s3;s4;s9;s4;s8;s18;s18;s16;s21;s21;s21;s4;s9;s26;s26;;s29;s29;s29;;s33;s33;s33;s14s29;s8;s38;s38;s11;s41;s16;s43;s43;s43;s10s33;s11;s48;s16;s50;s50;s50;s12;s47;s55;s55;s55;s10s26;s59;s59;s47;s62;s62;s62;s1s11;s66;s66;s37;s69;s69;s69;s38;s73;s73;s73;s17;;s78;s78;s78;s13s78;s82;s82;s13;s85;s85;s37;s88;s88;s88;s18;s92;s92;s92;s54;s96;s96;s96;;s100;s100;s100;s41;s104;s12;s106;s106;s54;s109;s109;s109;;s113;s113;s113;s14s106;s117;s117;s54;s120;s120;s120;s25s100s113;s104;s125;s48s125;s127;s85;s129;s129;s129;s77;s133;s133;s133;s17;s137;s137;s77;s140;s140;s140;s15;s144;s144;s25s137;s147;s147;s77;s150;s150;s150;s15;s154;s154;s144;s157;s157;s157;s124;s161;s161;s161;s154;s165;s165;s165;/rC:6.4258,9.543,5.3755;5.1724,11.1308,2.2547;4.1107,10.2789,8.1237;7.3474,5.9986,4.835;6.9118,7.4849,5.0383;5.7324,10.4575,3.5528;4.9609,9.7498,6.9251;5.4697,10.1703,.9128;5.6606,12.7097,1.9209;3.5202,11.5241,2.1466;9.3369,11.3424,5.9681;3.5254,11.8554,8.0684;4.9574,10.1403,9.5648;2.552,9.6214,8.3824;7.802,5.3078,6.2942;7.0424,13.2244,2.1447;8.5392,5.6853,3.6763;6.3931,9.033,.9676;6.5416,8.8057,2.0254;7.375,9.3135,.5555;7.3062,14.3841,1.1672;7.1714,14.0572,.1305;8.3367,14.7332,1.29;6.643,15.2359,1.3511;6.2592,4.888,4.14;4.5485,13.657,1.8304;4.3602,13.9403,.7833;4.7645,14.5722,2.3929;3.476,7.3566,8.7742;3.2649,6.2875,8.6703;3.6309,7.5777,9.8331;4.3965,7.577,8.2264;2.2091,10.6788,4.1108;1.8854,11.6823,4.4064;3.121,10.4309,4.6629;1.4209,9.9759,4.4019;2.2953,8.1586,8.204;5.0028,10.6175,-.4055;4.286,11.4246,-.2321;4.439,9.8009,-.8797;10.1398,11.1078,4.8257;10.1803,10.1023,4.4123;7.1933,13.7089,3.5979;6.4767,14.5083,3.8212;8.2027,14.089,3.7803;7.0132,12.8787,4.286;2.4437,10.5876,2.5896;9.3225,12.6689,6.4615;8.7285,12.8904,7.3454;8.0692,12.1153,1.8637;7.9217,11.261,2.5293;9.0734,12.5076,2.0452;8.0039,11.7731,.8267;4.3106,13.0634,7.6953;1.1485,10.9479,1.838;1.3194,10.9354,.7566;.7711,11.936,2.1214;.3686,10.217,2.0777;3.3301,12.9527,2.4316;3.2758,13.1515,3.5115;2.4067,13.3146,1.9689;2.8249,9.1435,2.2302;2.0238,8.4737,2.5602;3.749,8.8441,2.7315;2.9566,9.0286,1.151;8.5378,10.2768,6.5826;8.2595,10.5008,7.619;9.0524,9.3042,6.5597;2.1162,7.7932,6.716;1.2503,8.3017,6.2796;1.9516,6.7154,6.6142;3.0106,8.071,6.1517;6.1132,11.0946,-1.3464;5.6857,11.3815,-2.314;6.8562,10.3105,-1.5289;6.6261,11.9629,-.9241;9.7663,6.5055,3.4821;3.8407,9.6852,11.7846;3.004,9.1404,11.339;3.4828,10.1916,12.6885;4.606,8.9628,12.0882;4.3936,10.7139,10.7931;3.5969,11.3991,10.4923;5.1641,11.3268,11.282;6.1552,9.3036,9.6921;6.4178,8.9895,8.6792;5.9238,8.3918,10.2642;1.0254,7.7894,8.9915;1.1254,8.0848,10.0411;.8665,6.7065,8.947;.1332,8.2705,8.5774;5.8723,7.7919,.239;5.7329,7.967,-.8334;4.9184,7.4609,.6609;6.5994,6.9797,.345;4.1863,13.3073,6.1791;4.7337,14.2093,5.8838;3.1362,13.4402,5.8942;4.5887,12.4547,5.6225;4.6817,5.034,6.0448;5.245,4.2654,6.5807;3.6256,4.9486,6.3193;5.0376,6.0191,6.3574;10.8832,12.1222,4.2299;11.4936,11.8947,3.3581;2.0674,11.9465,8.1411;1.6796,12.6506,7.3959;1.7438,12.2942,9.1349;5.79,12.8834,8.0663;6.2251,12.0096,7.5733;5.9119,12.7676,9.1469;6.3459,13.7686,7.7418;4.0225,5.9796,3.8207;2.9753,5.9626,4.1406;4.0392,5.8642,2.7318;4.4526,6.9523,4.0749;1.5344,10.5414,7.8586;.5773,10.3837,8.3657;1.3778,10.4121,6.778;3.7673,14.2747,8.4766;4.3765,15.1563,8.2515;3.8142,14.0886,9.5551;2.7322,14.5082,8.2075;4.8129,4.8586,4.5255;10.8547,13.4243,4.7391;11.4388,14.2149,4.2764;10.0646,13.6831,5.8637;10.0317,14.6868,6.2829;7.341,10.0252,10.3378;7.5768,10.9478,9.7997;8.2234,9.3771,10.3064;7.1503,10.2758,11.3871;10.2642,7.0283,4.8387;10.5381,6.2044,5.5026;9.4971,7.6335,5.3285;11.146,7.6582,4.6835;8.0904,4.8002,2.6019;8.3727,5.1948,1.6184;8.5399,3.8006,2.7043;10.8693,5.6261,2.8656;11.7929,6.2083,2.7813;10.6048,5.2762,1.8625;11.0682,4.7534,3.4964;8.1498,3.8816,6.3517;7.6493,3.4348,7.2221;7.7121,3.4118,5.4667;6.5662,4.7265,2.7122;6.1999,3.7613,2.3498;6.1053,5.5188,2.1054;9.4586,7.6977,2.5544;8.6998,8.3373,3.0145;9.0776,7.3533,1.5863;10.3597,8.2934,2.3697;8.0912,6.1256,7.4785;7.8449,7.1558,7.2112;9.169,6.0982,7.6989;9.6525,3.5874,6.412;10.148,3.9458,5.5056;9.8186,2.5069,6.4926;10.1267,4.063,7.277;4.2378,3.4832,4.1419;4.8267,2.6812,4.5995;4.222,3.3319,3.0578;3.2053,3.4061,4.4991;7.2998,5.7122,8.7226;7.5629,6.3714,9.5571;7.5228,4.6851,9.0311;6.2242,5.7942,8.5462;/R:/0/N:73,92,78,129,157,165,21,43,50,33,55,62,29,69,88,96,109,120,100,113,161,133,140,150,38,18,82,85,144,154,125,104,127,41,48,26,59,117,106,147,137,66,11,16,47,37,54,124,77,6,7,5,8,13,15,9,10,14,12,25,17,2,3,4,1/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)(32,33)(34,35)(36,37,38,39,40,41)(44,45,46,47,48,49)(50,51,52)(53,54,55)(56,57,58,59,60,61)(62,63,64)/CRV:31.3,32.3,33.3,34.3,35.3,43.3,50.2,51.2,52.2,62.4,63.4,64.4 a 2719 280 2719 280 yes 0.0000001 0.0000010 yes 0.0000319 0.0005000 yes 0.0000099 0.0005000 yes 0.0002761 0.0010000 yes 0.0000996 0.0001000 15160.923581589 -0.270530005 a 2719 280 2719 280 276a|277a|278a|279a|280a|281a|282a|283a|284a|285a -0.16031 -0.15954 -0.13442 -0.09816 -0.09546 -0.07331 -0.07272 -0.05315 -0.04869 -0.04220 -4.3623 -4.3414 -3.6579 -2.6712 -2.5975 -1.9948 -1.9789 -1.4463 -1.3250 -1.1483 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 alpha 274a|275a|276a|277a|278a|279a|280a|281a|282a|283a -0.17652 -0.16457 -0.16005 -0.15926 -0.13239 -0.04100 -0.04005 -0.03272 -0.03218 -0.02891 -4.8035 -4.4781 -4.3552 -4.3338 -3.6025 -1.1156 -1.0897 -0.8903 -0.8757 -0.7868 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 beta 2.01609516 558.000000 -558.000000 -0.000000 2.000000 6222.210979 -6224.042879 -1.831901 9891.875391 -9892.663337 -0.787946 5391.458600 -5391.924285 -0.465684 5.2050 -364.192903 119.548269 82793.182010 -83182.921028 -389.739018 193231.185128 -193591.258413 -360.073284 69509.208711 -69851.975118 -342.766407 107929.383208 -107985.374062 -55.990854 57441.115330 -57470.532170 -29.416840 94641.980975 -94656.097222 -14.116247 alpha a 1-280 beta a 1-278