Gaussian 16 GINC-HEBBE09-9 ROOT 4b_BH_ON_OAcZ_ts1 ES64L-G16RevB.01 RB3LYP Gen FTS #B3LYP/gen pseudo=read EmpiricalDispersion=GD3 opt=(TS, CALCFC, NOEIGEN) freq scrf=(solvent=acetonitrile,SMD) g16 /apps/Common/Core/gaussian/16.B.01-AVX2/g16/l1.exe "/local/tmp.4681789/Gau-10833.inp" -scrdir="/local/tmp.4681789/" PT232279.600S Sun Sep 29 09:28:02 2019 0.000 0.000 0.000 0.000 0.000 0.000 550.901 5.886 424.899 -13.857 41.507 400.844 0 1-A -1448.5305863 6.443E-9 3.018E-6 24.5109053,-15.982948,-8.5279572,9.3386799,-12.0778322,4.5599454 C01 [X(C21H25N1O6Pd1)] 2.9526919 -1.5545014 -1.2948627 468.6477999999998 AuxInfo=1/0/N:16,20,24,27,26,28,29,30,2,1,4,25,3,6,10,15,5,12,11,13,9;50,51,52;42,44,41,47;46;14/E:(1,2)(5,6)(7,8);;(3,4);;/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,18.1;2.2,3.1;2.3,3-1,4.1;;/rA:54C3C3CCCCHHOC3OO1OHCCHHHCHHHCC3C3C3C3C3C3HHHHHHHHHHOCHC3HPdO1HHCC2N2HH/rB:s1;s2;s3;s1;s4s5;s1;s2;s5;s5;s10;s10;s6;;s9s13;s15;s16;s16;s16;s15;s20;s20;s20;s11;s3;;s26;s27;s25s26;s25s28;s26;s28;s30;s29;s3;s27;s24;s24;s24;;;s40;s42;s41s42;s42;s4s6s14s41;s44;s4;;s49;s50;s46s51;s50;s50;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-HEBBE09-9 ROOT 4b_BH_ON_OAcZ_ts1 ES64L-G16RevB.01 RB3LYP Gen Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/ChkBas Freq 2 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/ChkBas Freq 1/5=1,10=4,11=1,29=7,30=1,38=1,40=1/1,3 2/12=2,40=1/2 3/5=7,6=2,11=2,14=-4,16=1,17=8,25=1,30=1,67=1,70=2,71=2,74=-5,82=7,116=1,124=31,140=1/1,2,3 4/5=101/1 5/5=2,38=6,98=1/2 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=2,8=2,9=2,10=2,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/5=1,10=4,11=1,30=1/3 99//99 4b_BH_ON_OAcZ_ts1 Redundant internal coordinates found in file. (old form). Structure from the checkpoint file: "4b_BH_ON_OAcZ_ts1.chk" PT202266S Sun Sep 29 12:16:45 2019 524.378 -2.248 417.225 -9.185 34.592 373.614 551.098 5.752 424.795 -13.924 41.478 401.015 0 1-A -1448.5305863 6.165E-9 3.018E-6 0.4220429 0.4528643 24.5109038,-15.982948,-8.5279558,9.3386795,-12.0778311,4.5599446 C01 [X(C21H25N1O6Pd1)] 2.9526928 -1.5545011 -1.294863 -0.3095587 -0.2024074 -0.0667185 -0.0685448 0.0012097 -0.1609254 -0.0680064 -0.135845 -0.1872712 0.2693295 0.0624075 -0.1776062 0.0656802 -0.088331 -0.1224727 -0.3830404 -0.147713 -0.0878564 0.0847911 -0.0455559 0.1070734 0.1534788 0.1772827 0.0710242 0.156002 -0.1161299 0.1800708 -0.4022846 0.0624698 -0.1172595 -0.5434096 -0.1010654 -0.0681599 -0.0005788 0.006268 0.0136891 1.1079849 0.0478387 0.5283234 -0.0309157 0.2780556 0.1547354 0.3134228 -0.0962597 0.2665321 1.7367229 0.6693129 0.2686977 0.8053356 0.9244882 -0.0771197 1.1054318 0.3950801 0.719274 0.0539572 0.0020513 0.0649965 0.02145 0.0412363 0.115586 0.1359293 0.1157298 0.092481 0.0680369 0.0644106 0.0051623 0.081317 -0.018804 0.1114309 -0.0063564 0.1436001 0.0934394 -1.395225 0.0206984 -0.5671067 0.0607535 -0.7265799 0.1115835 -0.4815863 0.2169617 -1.1645769 2.2394491 -0.583924 -0.1875849 -0.4291327 0.8175678 0.5813571 -0.0526417 0.4272343 1.1707247 -1.5653253 0.568937 0.3610924 0.7075158 -0.8981124 -0.5347772 0.4263781 -0.4664567 -0.8746995 -1.4124655 0.1703723 -0.0977967 -0.1042758 -0.6062489 -0.247119 -0.3748294 -0.1354094 -0.9753532 -2.244192 -0.5213821 -0.2704844 -0.1239011 -0.5154372 0.0465735 -0.8979183 -0.2631698 -0.9490345 -0.0414417 -0.3346827 -0.0381949 -0.0950069 0.4408075 0.0643399 -0.0220084 0.1364929 -0.0089254 1.8702861 0.1485171 0.3093001 -0.1573478 1.0083539 -0.1467967 0.2111967 -0.1608384 1.2029046 -0.103641 -0.0740388 -0.0997088 -0.0908343 -0.0733887 -0.1205744 -0.0923284 -0.0843585 -0.0465255 0.0202809 0.1149432 -0.0004422 0.075296 -0.0782789 -0.0382123 -0.0217947 -0.0146918 0.0848105 -0.0870944 -0.0489695 0.0478081 -0.0494004 0.0850747 -0.0278051 0.0774208 -0.0007509 0.0503437 0.0971517 -0.0081378 -0.012272 -0.0120613 0.0381106 0.0887907 -0.065867 0.0494293 -0.0755816 -0.1442967 -0.0203088 -0.0893883 0.1593424 -0.2982781 -0.0613869 0.0022601 -0.0865002 0.0101783 0.0930815 -0.0131377 -0.0395513 -0.0103299 0.0543077 -0.0367526 -0.0106506 -0.0489306 0.0903396 0.0722623 0.0300001 -0.0231931 0.0537974 0.0618771 0.0692535 -0.0697229 0.0881059 -0.1077324 -0.1041529 -0.0187446 0.0718237 -0.0153249 0.0812085 0.0456811 0.1082661 0.0130936 0.0657764 0.4041452 -0.1304949 -0.09132 -0.2851386 0.623054 0.3514405 -0.2471631 0.2877909 0.6430799 0.3790254 -0.0135352 0.1128483 0.0206551 -0.1435423 0.0651956 0.2878117 0.0592531 0.0152072 0.0334075 0.0159088 0.0036218 0.0142072 -0.085236 0.152765 -0.0435815 0.1327375 0.0191803 -0.0561056 0.0603801 0.005396 0.0612769 -0.1390896 0.0810753 0.0494594 0.066107 -0.0886942 0.011552 0.0194294 -0.0704981 -0.0017826 -0.1230031 0.0722995 -0.0703954 0.0874188 -0.0776696 -0.2076268 0.0043693 -0.0328917 -0.1193433 -0.110535 0.0292819 -0.1066887 0.0238075 -0.1875688 -0.1637374 -0.0191102 -0.0611602 -0.0191818 -0.0962527 0.1000327 -0.0664827 0.1427189 0.0269128 0.0970648 0.0042958 0.0148049 -0.0147623 0.0794593 -0.1457501 0.0029706 -0.1357618 -0.0339002 -0.0872572 0.0362843 0.0868233 0.0250967 0.1479661 -0.0521786 0.0897403 -0.0513136 0.0884846 0.1095445 -0.0153269 -0.0057594 0.0020078 0.0819247 -0.1333318 0.0175498 -0.1457266 -0.0337594 0.1758673 -0.0106821 0.0444878 -0.0002398 0.145175 -0.0347497 0.0198174 -0.0321002 0.1311151 -0.0032403 0.1096808 0.0650446 -0.0113969 -0.1010638 -0.0479674 0.0496 -0.0068161 -0.0306227 -0.0627532 -0.0748755 -0.0760923 -0.0811182 0.1255649 -0.0696113 -0.0746704 -0.0669859 0.0965103 0.0397764 -0.0790841 0.0106264 0.0234479 -0.0044669 -0.0783585 0.0506495 -0.0109071 0.078703 -0.0963938 0.0797101 0.0269374 0.0440209 0.0693666 -0.0479188 -0.023105 -0.0273612 0.0750339 0.0848857 0.0396392 -0.0610638 0.0667584 -0.0059158 0.066419 0.0401582 -0.0206909 -0.104988 0.0570394 0.0094733 -0.0949231 0.0258117 0.0335689 0.0043221 -0.0907494 -0.0508444 -0.0526522 -1.4399574 0.6022221 0.3805208 0.6134504 -1.7092235 -0.3840179 0.3851208 -0.4070718 -0.5734213 0.0908276 -0.052438 -0.0276774 -0.0555489 -0.3762646 -0.1273151 -0.0200373 -0.1966438 0.0204155 0.0522221 -0.0433083 0.0898253 -0.0271715 -0.0171464 0.0284547 0.0976676 0.1073906 -0.0052007 2.4420301 -0.5275073 -0.5922449 0.0711738 1.5620952 0.3204169 -0.4882775 0.4819298 0.4608409 -0.1030365 0.1239105 0.0335013 0.0516859 -0.0446208 -0.0317798 0.0153356 -0.0263295 0.0992029 -0.0352917 -0.1125355 -0.0138738 -0.4449404 0.2994944 0.0986566 -0.0536514 -0.0003729 0.322503 -1.7311904 0.0009667 0.2535758 -0.4556679 -1.1911863 -0.0399799 0.1693888 -0.1137129 -0.6044509 0.1143552 0.0312922 -0.0371206 0.1093394 0.0119703 -0.0412068 0.0039328 0.0029048 -0.0602928 0.0428893 -0.0138561 0.0196084 -0.0224319 0.0506607 -0.025945 0.0146417 -0.0348683 0.1523602 -0.2525106 -0.0470747 0.0478318 -0.0284502 -0.0360025 -0.0001333 0.0368233 0.0013945 -0.03172 0.6588876 -0.0012679 -0.0569542 0.0326967 0.2045161 -0.0350975 -0.0599296 -0.0271078 0.2236312 -0.5414227 -0.0617789 0.0285781 -0.0452405 -0.110175 0.0618761 -0.000434 0.0707562 -0.2832349 0.0461329 -0.0205452 0.0133554 -0.0098608 0.1601575 -0.0229708 0.0235511 -0.0117943 0.0461804 0.0372144 -0.0048111 0.007222 0.0071652 0.0936951 0.0678224 0.0019694 0.0672577 0.1058068 524.3890131|-2.2561689|417.2237127|-9.1020809|34.5909488|373.6043881 468.6477999999998 AuxInfo=1/0/N:16,20,24,27,26,28,29,30,2,1,4,25,3,6,10,15,5,12,11,13,9;50,51,52;42,44,41,47;46;14/E:(1,2)(5,6)(7,8);;(3,4);;/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,18.1;2.2,3.1;2.3,3-1,4.1;;/rA:54C3C3CCCCHHOC3OO1OHCCHHHCHHHCC3C3C3C3C3C3HHHHHHHHHHOCHC3HPdO1HHCC2N2HH/rB:s1;s2;s3;s1;s4s5;s1;s2;s5;s5;s10;s10;s6;;s9s13;s15;s16;s16;s16;s15;s20;s20;s20;s11;s3;;s26;s27;s25s26;s25s28;s26;s28;s30;s29;s3;s27;s24;s24;s24;;;s40;s42;s41s42;s42;s4s6s14s41;s44;s4;;s49;s50;s46s51;s50;s50;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;