Gaussian 09 GINC-NODE13 GROTJAHN iuf35b ES64L-G09RevD.01 RB3LYP GenECP FOpt #t opt=tight int=(grid=ultrafine) freq b3lyp/genecp empiricaldispersion=gd2 nosymm gfinput gfprint /opt/acooksy/g09D01/g09/g09 Output=/home/grotjahn/456/32/190223/ab/iuf35b.log PT364289.100S 2019-03-12T22:48:29.000+01:00 0 -1446.0491653 9.54E-9 9.561E-7 12.0894001,4.2682274,-16.3576276,2.9424261,-0.7158422,4.0220643 C01 [X(C23H40N2P1Ru1)] 2.0049499 1.4749591 0.2786306 436.30326099999974 AuxInfo=1/0/N:14,15,17,18,34,35,36,8,5,13,16,6,3,33,7,4,2;46,47,48,50,52;56,59,57,58;1/E:(1,2,3,4)(5,6,7)(10,11);(1,2,3,4,5);;/CRV:9.3,12.3,13.3;1.3,2.3,3.3,4.3,5.3;1.3,3.3,4.3;/rA:67RuP4C3NC3C3NCHHHHCCCCCCHHHHHHHHHHHHHHCCCCHHHHHHHHHCCCHCHCHHHCCCCHHHHHHHH/rB:s1;s2;s3;s4;s5;s3s6;s4;s8;s8;s8;s5;s2;s13;s13;s2;s16;s16;s13;s16;s14;s14;s14;s15;s15;s15;s17;s17;s17;s18;s18;s18;s6;s33;s33;s33;s34;s34;s34;s35;s35;s35;s36;s36;s36;s1;s1s46;s1s46;s46;s1s47;s47;s1s48s50;s48;s50;s52;s1;s1s56;s1s57;s58;s7;s56;s56;s57;s58;s59;s59;s59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-NODE13 GROTJAHN iuf35b ES64L-G09RevD.01 RB3LYP GenECP Freq #T Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/GenECP Freq 2 #T Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/GenECP Freq iuf35b Redundant internal coordinates found in file. Structure from the checkpoint file: "iuf35b.chk" PT112322S 2019-03-13T06:36:38.000+01:00 341.022 9.989 331.333 4.855 2.568 283.076 514.664 16.690 539.055 4.991 -7.883 493.125 0 -1446.0491653 4.641E-9 9.512E-7 0.5866233 0.6189528 C01 [X(C23H40N2P1Ru1)] 2.0049498 1.4749487 0.2786353 -1.5495118 -0.1009668 -0.1155863 -0.1679674 -1.0711768 -0.2976859 -0.1426347 -0.4109256 -0.7533108 1.6926279 0.5308411 0.0378162 0.4800236 1.4651735 0.0467164 0.0927498 0.0909486 0.8128111 -0.4114806 0.1253769 0.0549564 0.0529871 -0.0126128 0.049937 0.0044999 -0.0021762 -0.0777853 -0.1889641 -0.136139 -0.0089471 -0.0109574 -0.4619818 -0.0891034 0.0062739 -0.0161006 -0.0888066 -0.1304929 -0.2225163 -0.0310056 0.1829131 0.0044507 0.0131594 0.0322099 0.0163741 -0.0907905 0.0514096 -0.0259069 -0.0189622 -0.3961636 0.3075451 0.0904389 -0.0778567 0.0602228 -0.0229433 -0.5766345 -0.1665351 0.0159785 -0.3553263 -0.5380071 -0.0656538 -0.0423438 -0.0720749 -0.0886428 0.1034625 0.0832271 0.00766 0.0993041 0.5408823 0.0993668 0.0025457 0.0572029 0.1508235 0.0530244 0.0726799 -0.0318921 0.0192023 -0.002627 -0.0182386 -0.0503704 0.0028517 0.0510392 -0.0176904 -0.0507206 0.0318958 0.0334446 0.054795 -0.0203264 0.062895 0.0124088 0.0750906 0.1089379 0.0208465 0.0201116 0.0000348 -0.0198807 0.0068037 0.0141966 -0.0437341 -0.0325894 0.064656 -0.0068842 0.0038253 -0.0091514 0.1009042 -0.0058347 0.0017953 -0.0054291 0.1417847 -0.213408 -0.1317841 -0.0645975 -0.1052087 -0.0984444 0.0695919 -0.026415 0.1033389 0.0499662 0.078211 0.0416677 -0.018422 0.0254599 0.0463377 0.0071444 -0.023741 -0.1789893 -0.0284833 0.1077025 0.0388285 0.0416291 0.0294127 -0.0648761 -0.0415857 -0.0592421 -0.0012426 -0.0068177 -0.2202471 -0.1297007 0.0537433 -0.0942017 -0.1165003 -0.0656361 -0.00383 -0.1738246 -0.0170557 0.0462579 0.0340343 -0.0250164 -0.0069329 -0.0038713 0.0788374 0.0320551 0.0048778 0.0075538 0.0478351 -0.0697887 0.03436 0.0906099 0.0206407 -0.0119695 -0.0478821 0.0487707 0.0109545 -0.0726415 -0.0575773 -0.0067017 0.00333 0.0033636 0.0097242 0.0640947 0.0177341 -0.016643 -0.0170642 -0.0451866 -0.0387622 -0.0915564 -0.1569431 -0.0316314 -0.0057687 0.0653761 -0.0070811 -0.0174036 0.0362376 -0.0601113 0.0187041 0.0142963 0.0443652 -0.0696866 0.0833854 0.0260378 -0.0748619 -0.0766696 0.0349226 -0.032877 0.0020461 0.0128734 0.0384659 0.0494742 0.0402267 0.0725983 0.0031201 0.0222406 0.0028595 -0.0252108 -0.0458444 0.0310091 -0.0879751 -0.0958664 -0.1185337 -0.0472 -0.0041147 -0.0708162 0.0276006 0.0110722 0.0382084 0.0352054 0.0453919 0.0233514 0.0197243 0.0214801 0.0127989 0.0537506 -0.0623939 0.0020741 -0.0659115 -0.1117271 0.0433577 0.0282149 0.0101307 0.0348377 -0.078443 0.0283585 -0.0018489 0.0242076 0.0766703 0.0422477 -0.023362 -0.0218108 -0.0167762 -0.0285249 -0.0850835 -0.0060145 -0.0638269 0.0345534 0.0450917 0.0233741 0.0002779 0.0197972 -0.0431112 0.1007827 0.0090286 0.0921388 -0.0372731 -0.1522124 0.0070627 -0.0009575 0.0041727 0.0521293 -0.0102844 -0.0314177 -0.0330847 0.0404359 0.0048373 0.0003662 0.0619258 -0.0016296 0.0796289 0.0067498 0.0786504 -0.0164402 -0.0573594 0.0065841 0.0122674 -0.0176289 0.0373947 -0.0841619 0.093173 -0.0366246 0.0918087 0.0252548 0.0109621 -0.0057895 -0.012551 -0.0514385 0.0251401 -0.0795622 -0.037419 -0.083205 0.0164471 0.196881 -0.0919655 -0.0224277 -0.1037964 0.1353779 0.0092212 -0.024493 0.0100278 0.120349 0.0482248 -0.0097458 -0.0011466 0.0569298 0.0040511 -0.0147317 0.0145691 -0.0121975 0.0605795 0.0382751 0.0180821 0.0324053 0.0574896 -0.0044866 -0.0039094 0.0618833 -0.0512192 0.0360811 0.0177241 0.0353775 -0.0197831 0.0772008 -0.0150859 -0.0257773 -0.0379045 0.0291844 0.0556512 0.0151929 0.033998 0.009233 0.0965899 -0.0612177 -0.0294969 0.0197432 -0.0265346 0.0702798 0.0315956 -0.0138782 0.0016454 -0.06695 -0.0114195 0.0871732 0.0230715 0.0822611 -0.0244962 0.0291937 -0.0172047 -0.0139556 -0.057288 0.0421038 -0.0563851 -0.0525526 -0.0558453 -0.0779613 0.053265 -0.0209288 -0.0319637 -0.047784 0.0377276 -0.0611137 -0.0202232 -0.0188533 -0.0827447 0.0236284 0.0670629 0.0141599 0.0804656 -0.0766901 -0.0083441 0.0263348 -0.0255644 0.0568906 -0.1568405 -0.0239646 0.0165103 -0.0392419 0.053129 0.0197171 -0.0201071 0.0205376 0.0160663 -0.1413534 -0.0209082 -0.0127834 -0.0507039 0.0674267 0.0043382 0.016712 0.0009626 0.0132251 0.0223667 0.0686027 0.0155705 0.0839039 -0.0697778 -0.0475686 0.0075875 -0.0276362 0.0470533 0.0566841 -0.0286339 0.0177122 -0.0462079 -0.0054597 0.0942193 -0.0027778 0.0484449 -0.0392461 0.1470075 0.0003917 0.096889 0.0412961 0.0788745 0.0470438 -0.0387395 0.0306038 0.0366323 0.0526196 -0.0868752 0.0809944 -0.0806912 -0.2315305 0.1864857 -0.0124634 0.048679 -0.0462989 0.0919931 -0.0117158 0.009726 -0.0051025 0.0313484 0.0317167 0.0555765 0.1963952 -0.075937 0.0098005 0.0002753 0.0143051 0.052115 0.0859881 -0.0053199 -0.0412717 -0.014533 0.0977764 0.1108946 -0.0491961 -0.0565192 -0.017574 0.0876372 0.0739895 0.0257128 0.0025682 0.0593178 0.0561271 -0.0233837 -0.0043675 -0.018525 0.0688634 -0.0332968 -0.0246617 -0.0705433 0.058729 0.0996248 0.0708178 -0.0814217 -0.0532 -0.0044249 0.0829379 0.0157063 0.163195 -0.1094988 0.0770949 0.0260503 -0.0069896 0.0324195 0.0329571 -0.0924727 -0.0188234 -0.0480869 0.0508086 0.0325085 0.0677064 0.0131097 0.0513682 0.0721829 -0.0072032 0.039728 -0.0651539 0.0540232 -0.0294817 -0.027414 -0.0639997 -0.0385741 0.0916633 -0.0314677 -0.0369098 -0.0251078 0.0735641 0.0575389 0.083597 0.1782494 0.1032596 0.0949442 -0.1785651 -0.1735816 0.0858738 0.0181986 0.2784396 -0.0286388 -0.0512962 -0.0893826 0.1870836 0.0573372 -0.0154018 0.0375869 0.1301629 0.1886907 0.0526239 -0.0572139 0.1013785 0.1835242 0.0602665 0.372729 0.0455287 0.1782301 0.0363963 -0.0001355 -0.0374354 0.095865 0.046933 0.0583497 -0.1256896 -0.035017 0.0206904 0.830592 0.1570262 -0.0290357 0.2023366 0.217029 0.0022247 0.0066661 0.0069755 0.1368746 -0.0679284 -0.001011 0.0838632 -0.0529876 0.0369324 0.005781 0.1001066 -0.0143358 -0.0273829 0.0387631 -0.0464003 0.0059952 -0.0261869 -0.0742645 -0.0500818 0.0412872 0.0188545 0.0102767 0.0167006 -0.032901 0.0211286 -0.0119267 -0.0287867 0.053203 0.0018475 0.0190204 0.0359972 -0.0361331 0.0321912 -0.0434631 0.0495543 -0.0731238 -0.002122 -0.0609334 -0.0076746 0.0081069 0.0041429 0.091848 0.0356908 0.0216829 -0.0602267 -0.0226108 0.0297429 0.0062981 0.0609231 0.0110544 -0.0226732 0.0411385 -0.0672756 0.0190353 -0.0211956 0.1398546 0.0449328 -0.0458912 -0.0832918 -0.0292188 -0.130411 -0.0667407 0.0493702 -0.0206034 -0.1399812 -0.0010139 -0.0488968 341.0224983|9.9894386|331.333418|4.855157|2.5682393|283.0760576 436.30326099999974 AuxInfo=1/0/N:14,15,17,18,34,35,36,8,5,13,16,6,3,33,7,4,2;46,47,48,50,52;56,59,57,58;1/E:(1,2,3,4)(5,6,7)(10,11);(1,2,3,4,5);;/CRV:9.3,12.3,13.3;1.3,2.3,3.3,4.3,5.3;1.3,3.3,4.3;/rA:67RuP4C3NC3C3NCHHHHCCCCCCHHHHHHHHHHHHHHCCCCHHHHHHHHHCCCHCHCHHHCCCCHHHHHHHH/rB:s1;s2;s3;s4;s5;s3s6;s4;s8;s8;s8;s5;s2;s13;s13;s2;s16;s16;s13;s16;s14;s14;s14;s15;s15;s15;s17;s17;s17;s18;s18;s18;s6;s33;s33;s33;s34;s34;s34;s35;s35;s35;s36;s36;s36;s1;s1s46;s1s46;s46;s1s47;s47;s1s48s50;s48;s50;s52;s1;s1s56;s1s57;s58;s7;s56;s56;s57;s58;s59;s59;s59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;