Gaussian 16 GINC-HEBBE26-8 ROOT TS6_OAc-Ztu_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.4604011/Gau-1874.inp" -scrdir="/local/tmp.4604011/" PT209301.800S Thu Sep 12 11:15:55 2019 0.000 0.000 0.000 0.000 0.000 0.000 489.299 39.069 510.490 -2.291 -31.565 448.344 0 1-A -1448.507677 9.73E-9 2.637E-6 -21.2186831,29.5916583,-8.3729753,-10.4730213,5.8005832,-3.5152295 C01 [X(C21H25N1O6Pd1)] 2.9537253 2.8577561 -1.4420068 468.64779999999985 AuxInfo=1/0/N:18,22,26,3,2,4,1,6,12,17,5,14,13,15,11;41,39,42,36,40,38;50,49,54;29,30,31,33;35/E:(1,2);(2,3)(4,5);;(3,4);/CRV:4.3,5.3,6.3,7.3,9.3,12.1;1.3,2.3,3.3,4.3,5.3,6.2;2.2,3.1;2.3,3-1,4.1;/rA:54C3C3CCCCHHHHOC3OO1OHCCHHHCHHHCHHCC3OHO1HPdC3HC3C3C3C3C3HHHHHHC2CHHHN2/rB:s1;s2;s3;s1;s4s5;s1;s2;s4;s3;s5;s5;s12;s12;s6;s6;s11s15;s17;s18;s18;s18;s17;s22;s22;s22;s13;;;s27s28;s29;s30;s29;s30;;s3s4s31;s34;;s35s36;s36s37;s38;s39;s40s41;s40;s41;s42;s26;s26;s26;;s49;s50;s50;s50;s35s49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-HEBBE26-8 ROOT TS6_OAc-Ztu_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 TS6_OAc-Ztu_ts1 Redundant internal coordinates found in file. (old form). Structure from the checkpoint file: "TS6_OAc-Ztu_ts1.chk" PT187524.800S Thu Sep 12 13:52:20 2019 489.022 42.054 504.327 -1.744 -28.914 405.099 492.070 41.360 510.391 -3.352 -32.354 448.638 0 1-A -1448.507677 5.38E-9 2.637E-6 0.4238619 0.455255 -21.2186858,29.5916632,-8.3729774,-10.4730217,5.8005878,-3.515229 C01 [X(C21H25N1O6Pd1)] 2.953723 2.8577553 -1.4420073 -0.3870896 -0.0819881 0.1231043 -0.180747 -0.1219621 -0.1167692 -0.2848569 -0.1711204 -0.3383594 0.34567 0.1133517 0.1671707 0.5624363 0.3391594 -0.1353316 0.2228019 -0.0233897 -0.1702264 0.0235892 0.4903923 -0.175063 -0.280723 0.0121826 0.1512064 0.1258523 -0.1840089 0.1674225 0.4890851 -0.0705243 -0.0451377 0.2787908 0.9496355 -0.32237 -0.1786532 0.0052916 0.0366994 0.7067262 -0.4844649 -0.2432375 -0.4744254 0.4629222 0.1558081 -0.2700871 0.3049864 0.4342646 0.7106206 -0.191531 0.0420579 -0.6151678 0.601102 0.0380277 0.1958866 -0.0802041 0.1293583 0.076029 -0.0685932 -0.0520526 -0.0808445 -0.0361281 0.0426191 -0.1410952 0.0064487 0.1834538 0.0645061 0.0148289 -0.0711405 -0.009419 -0.0406189 0.111392 -0.0276013 0.1011581 0.1177372 -0.0932758 -0.1881591 0.0803727 -0.052178 -0.0293851 0.0032788 -0.0249107 0.0141641 0.1056501 0.0405467 -0.072591 0.0185916 -0.0831655 0.0661176 -0.036618 -0.0450129 0.0335761 -0.0829164 -1.1047832 0.3871367 0.1294227 0.7120994 -1.3601997 -0.1007642 0.1563585 -0.1842319 -0.7139933 2.1825102 0.7521668 0.0176228 0.7806949 0.6804385 0.2620989 0.0012411 0.2006134 1.5130443 -1.8407645 -0.6766428 -0.3287739 -0.7268101 -0.7293898 -0.2549503 -0.3645887 -0.2966537 -0.8747306 -1.0113996 -0.2243363 0.1345842 -0.1624381 -0.5654282 -0.1695564 0.3167131 -0.0828586 -1.2603883 -1.5746464 0.2368636 0.2060443 0.5052042 -0.9286504 -0.0382313 0.1608949 -0.0764747 -0.6145719 0.0042058 0.0775911 0.031301 0.1266061 0.1127662 0.0397818 0.0725118 0.0093341 0.0497206 1.4576294 -0.2406868 -0.1119836 -0.4644801 1.3303923 0.1768093 -0.1395948 0.0971252 0.9528638 -0.0012538 0.0117499 -0.0692679 0.0788601 -0.036533 -0.1390894 0.0334649 -0.1715677 -0.2006237 -0.0706299 0.0420195 -0.1158164 0.0620903 0.0669677 0.0211172 -0.1031837 -0.000061 0.0060529 -0.078891 -0.0307873 0.1126016 -0.0509538 0.0811997 0.0257964 0.1003018 -0.0184009 0.0277768 0.1060316 -0.0091502 -0.0019626 0.0295516 -0.124699 0.0129166 0.0207235 0.061312 0.0541873 -0.1640185 0.1059742 -0.1263407 0.093381 0.0105868 -0.0363084 -0.1917899 0.0484498 -0.0822829 0.0650093 0.0328667 0.0134853 0.0031078 0.0228955 -0.1207331 -0.0064365 -0.1081631 -0.0917705 0.0623858 -0.0193501 0.0007181 0.0353752 -0.1303388 0.0562758 -0.0403052 0.04787 0.0876199 -0.1002948 -0.0076359 0.0627242 -0.04617 0.0912806 0.0314798 0.100895 0.0349048 0.0235821 0.6009688 0.1786017 0.2333904 0.2107847 0.46818 0.1817019 0.4183051 0.2665603 0.6480855 -0.1899215 0.0274077 0.0227708 0.033291 0.1018198 0.0086289 -0.0243293 0.0123606 0.0229754 0.0548248 0.0517024 0.0237422 0.0110977 -0.0919442 0.0731928 0.0296155 0.0312636 0.0698367 -0.1605159 -0.0408634 0.284221 -0.1370939 0.0358854 0.1715451 0.2022168 0.10715 -0.241123 2.8363432 0.1926061 0.0023778 0.4155118 0.2877235 -0.1539252 0.9841897 -0.1269278 1.6980247 -2.7768907 -0.1084576 0.2629593 -0.2431679 -0.411981 -0.0385095 0.2924776 -0.0961455 -0.9691115 0.0515074 -0.0595111 -0.0324784 -0.0186488 0.0265207 -0.1454008 -0.0078456 -0.0851018 -0.0487605 -1.3632401 0.0016136 -0.1366159 -0.045309 -0.5488398 0.0676076 -0.7955749 0.0461327 -1.5033481 0.0977136 -0.0841449 -0.0865999 -0.0734619 0.0989116 -0.0759618 -0.0884359 -0.044606 0.0528445 0.9725883 0.4752196 -0.4546453 -0.5399308 -0.7051052 0.2970076 -0.3935901 0.101253 0.5195788 -0.1383726 -0.098896 0.0448737 0.0134298 -0.3411904 0.1322847 0.0754731 0.0233107 -0.0484732 0.1517023 -0.0324561 -0.0500419 -0.0221586 0.0461675 0.0947608 -0.0427952 0.1172729 -0.077009 -0.0514175 -0.4023146 0.0031331 0.3527576 0.76611 -0.1837689 -0.1936229 0.0830616 0.0256866 -0.1274937 0.1086795 0.0237579 0.0183216 -0.0959629 -0.1100983 0.0296803 -0.0512682 0.0708288 -0.1851418 -0.0620955 0.0651508 -0.0682531 -0.3765034 -0.0602884 0.0804901 0.1362204 -0.0324421 -0.1562283 0.0277156 0.0562086 0.0272245 -0.1384202 -0.0033645 0.0368791 0.0287375 -0.0377871 -0.0772219 0.1371959 0.1033412 0.0551397 -0.0466433 0.0764888 0.0823802 -0.0652279 -0.0294509 0.1458759 -0.0377167 -0.0290786 -0.0169393 0.1200601 0.072986 -0.0254417 0.0600918 -0.0392455 0.1187237 -0.120086 0.0026268 -0.0989557 -0.0622387 0.0603034 0.00574 0.0667235 0.1057184 0.0933425 -0.1226349 -0.0907477 -0.1015517 0.018711 -0.0649396 -0.0992326 -0.06803 0.0132691 0.064723 -0.0474137 -0.0188795 -0.0107866 -0.0455629 0.0962647 -0.1129208 0.0022418 -0.025317 -0.0695068 -0.0787321 0.0000426 -0.0644142 0.086567 -0.0204795 0.0559984 0.0031492 0.0437176 -0.0154933 0.1073215 0.0151572 0.01457 -0.0351214 -0.0774545 -0.0943373 -0.06802 0.0299875 0.2149817 -0.1382761 0.0226352 -0.0862671 0.6037543 -0.0508844 0.0167846 -0.0375917 0.1973505 -0.047382 0.0846541 -0.004281 0.0850423 -0.258706 0.0191655 -0.0029215 0.023717 -0.0250461 0.1521021 0.035123 0.0026465 0.0447928 0.0424753 0.0046497 -0.0063199 0.0236047 0.0509611 0.0856616 -0.0024993 -0.0494996 0.0171648 0.0204862 -0.0095986 -0.0476883 -0.0167062 0.1325069 0.0606146 0.030611 0.0417466 0.0208327 0.0379345 0.0207708 0.0463932 0.0139085 0.1372811 -0.2503453 0.0791457 -0.056939 0.1663024 -0.3274007 -0.0405703 -0.1110972 -0.0552346 -0.2011096 489.0724908|42.0432747|504.1277607|-1.9125976|-29.185394|405.2476464 468.64779999999985 AuxInfo=1/0/N:18,22,26,3,2,4,1,6,12,17,5,14,13,15,11;41,39,42,36,40,38;50,49,54;29,30,31,33;35/E:(1,2);(2,3)(4,5);;(3,4);/CRV:4.3,5.3,6.3,7.3,9.3,12.1;1.3,2.3,3.3,4.3,5.3,6.2;2.2,3.1;2.3,3-1,4.1;/rA:54C3C3CCCCHHHHOC3OO1OHCCHHHCHHHCHHCC3OHO1HPdC3HC3C3C3C3C3HHHHHHC2CHHHN2/rB:s1;s2;s3;s1;s4s5;s1;s2;s4;s3;s5;s5;s12;s12;s6;s6;s11s15;s17;s18;s18;s18;s17;s22;s22;s22;s13;;;s27s28;s29;s30;s29;s30;;s3s4s31;s34;;s35s36;s36s37;s38;s39;s40s41;s40;s41;s42;s26;s26;s26;;s49;s50;s50;s50;s35s49;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;