Gaussian 16 GINC-EXP-1-24 ABELLING -11.29539395 AS64L-G16RevC.01 RB3LYP 6-31+G(d,p) FOpt # opt freq b3lyp/6-31+g(d,p) empiricaldispersion=gd3bj g16 /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l1.exe "/scratch/abelling/job_1203363/Gau-865.inp" -scrdir="/scratch/abelling/job_1203363/" PT948345.900S Sun Feb 7 07:28:32 2021 0 1-A -3201.7418755 4.759E-9 3.675E-7 8.7795162,-4.9431148,-3.8364014,-10.5188924,7.6012807,5.6314394 C01 [X(C29H31Cl1F12N1O1Si1)] 2.9861198 -2.6212089 1.0797241 669.8357383999996 AuxInfo=1/0/N:18,22,51,55,59,4,3,1,29,30,38,39,35,44,12,16,28,37,31,33,40,42,14,2,27,49,48,46,47,26,64,65,66,67,68,69,73,74,75,70,71,72,11,50,63/E:(1,2)(3,4,5)(9,10,11,12)(13,14)(17,18)(19,20,21,22)(26,27,28,29)(31,32,33,34,35,36,37,38,39,40,41,42)/CRV:9.3,10.3,11.3,12.3,13.3,14.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3/rA:76CCCCHHHHHHNC3HCHCHCHHHCHHHClCC3C3C3C3HC3HC3HC3C3C3C3HC3HC3HCCCCOCHHHCHHHCHHHSiFFFFFFFFFFFFH/rB:;s2;s1s3;s1;s1;s2;s3;s4;s4;s1s2;s11;s12;s12;s14;s14;s16;s16;s18;s18;s18;s16;s22;s22;s22;s14;s2;s27;s28;s28;s29;s29;s30;s30;s31s33;s35;s27;s37;s37;s38;s38;s39;s39;s40s42;s44;s40;s42;s33;s31;s27;;s51;s51;s51;;s55;s55;s55;;s59;s59;s59;s50s51s55s59;s49;s49;s49;s48;s48;s48;s47;s47;s47;s46;s46;s46;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-EXP-1-24 ABELLING -11.29539395 AS64L-G16RevC.01 RB3LYP 6-31+G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31+G(d,p) Freq 2 q #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31+G(d,p) Fre 1/10=4,29=7,30=1,38=1,40=1/1,3 2/12=2,40=1/2 3/5=1,6=6,7=111,11=2,14=-4,25=1,30=1,70=2,71=2,74=-5,116=1,124=41,140=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 1/10=4,30=1/3 99//99 -11.29539395 Redundant internal coordinates found in file. (old form). Structure from the checkpoint file: "/scratch/abelling/job_1203363/Gau-866.chk" PT334418.300S Sun Feb 7 19:09:36 2021 422.413 -10.558 375.830 -13.150 -4.581 327.016 587.466 -3.720 577.708 -26.164 -19.190 497.846 0 1-A -3201.7418755 2.729E-9 3.672E-7 0.5660047 0.6125726 -3201.129303 -3201.1283588 -3201.2644694 8.7795155,-4.9431144,-3.8364011,-10.5188938,7.6012813,5.6314401 C01 [X(C29H31Cl1F12N1O1Si1)] 2.9861195 -2.6212087 1.0797239 0.1042234 0.0246043 0.017576 0.004679 0.2834224 0.0921061 0.0639567 0.0640514 0.241819 0.2831684 -0.2468129 0.0047347 -0.1439924 0.059989 0.000454 -0.0857172 -0.0151213 0.1393309 -0.0289756 0.0358888 -0.0245447 0.0247151 0.0413403 -0.0448697 -0.0464026 -0.0360663 0.0702348 0.043672 -0.0232204 0.0136189 -0.0142459 0.1056333 0.0060761 -0.0053391 -0.0078513 0.0687072 0.0494881 -0.0062823 -0.0152281 0.0459519 -0.0179672 0.028198 -0.0311521 0.0139166 0.0425827 0.0304489 -0.0227732 0.0307218 -0.0036617 0.0340785 -0.0228681 0.0904984 -0.0343064 0.0046072 0.0420607 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0.0266619 -0.1767235 0.0685294 -0.1539142 -0.1243448 0.0081061 0.0165474 -0.009822 -0.026454 -0.0255532 -0.0201966 -0.0407322 -0.028068 -0.0800018 0.0007195 -0.0125229 -0.0050259 -0.005874 -0.0490528 0.0113436 -0.0223055 -0.006262 -0.1670943 0.0350664 -0.0430356 0.0253768 -0.1190576 0.0014344 0.0030414 -0.006825 -0.1041854 0.1077936 -0.008101 0.0396775 -0.0417538 0.0847511 0.037858 0.0711019 0.0550171 0.0543266 -0.2015417 -0.0354623 0.0607001 0.0038902 -0.1125028 0.0039603 0.0069729 0.0058068 -0.1006683 0.0990062 0.0515669 -0.0466603 0.0689587 0.0480675 0.0530711 -0.0613335 0.0397066 0.0563326 -0.0141861 -0.0133097 -0.0013121 -0.0043436 -0.0289837 0.0085757 0.007509 0.0084852 -0.0401849 0.1004231 0.001561 -0.002047 -0.001097 0.1306861 -0.0046287 -0.0035057 -0.0033914 0.1313825 -0.1674949 0.0711114 -0.0082463 0.1271511 -0.0182064 -0.1145909 -0.0460818 -0.1012182 -0.1185697 -0.0227098 -0.01018 -0.020019 -0.0711982 -0.0514913 0.0257792 -0.0441033 -0.0071446 -0.0316469 -0.0569941 0.009739 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1.6183448 -1.0406209 -0.19298 -0.3030192 -0.0925302 -1.0460444 -0.5123121 -0.3015185 -0.6271708 -1.3912904 -0.3531709 0.0938274 0.0267342 0.0911568 -0.4214191 -0.0910554 0.0022805 -0.0927121 -0.2768641 0.064928 0.0459516 -0.019089 0.0388082 0.0044093 0.1092836 -0.0246215 0.0990436 -0.0262182 0.052532 -0.0235495 -0.0467376 -0.0373069 0.0392975 -0.0677286 -0.0532082 -0.0679994 -0.0117471 -0.0966054 -0.0281106 0.0479699 -0.0054216 0.0616255 0.0163355 0.0706669 0.0325351 0.0875329 -0.2864786 -0.005789 -0.0035966 0.0188619 -0.3928669 0.1068888 -0.008027 0.0229043 -0.4515557 0.0617691 -0.0321976 -0.0391681 -0.0127193 0.0762999 -0.0488559 -0.0409077 -0.0766127 -0.0506542 0.029253 0.0557469 0.0242836 0.0940036 -0.0586621 -0.0409008 -0.0071168 0.0045198 0.1136833 -0.0621606 -0.0574827 0.0245579 -0.078906 0.025721 0.0130372 0.0600578 0.0475471 0.0980477 -0.4600047 -0.0714183 0.0066841 -0.0301113 -0.3531512 -0.0227476 0.0580131 -0.0520623 -0.2748511 -0.0467893 0.104514 0.043092 0.0530379 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AuxInfo=1/0/N:18,22,51,55,59,4,3,1,29,30,38,39,35,44,12,16,28,37,31,33,40,42,14,2,27,49,48,46,47,26,64,65,66,67,68,69,73,74,75,70,71,72,11,50,63/E:(1,2)(3,4,5)(9,10,11,12)(13,14)(17,18)(19,20,21,22)(26,27,28,29)(31,32,33,34,35,36,37,38,39,40,41,42)/CRV:9.3,10.3,11.3,12.3,13.3,14.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3/rA:76CCCCHHHHHHNC3HCHCHCHHHCHHHClCC3C3C3C3HC3HC3HC3C3C3C3HC3HC3HCCCCOCHHHCHHHCHHHSiFFFFFFFFFFFFH/rB:;s2;s1s3;s1;s1;s2;s3;s4;s4;s1s2;s11;s12;s12;s14;s14;s16;s16;s18;s18;s18;s16;s22;s22;s22;s14;s2;s27;s28;s28;s29;s29;s30;s30;s31s33;s35;s27;s37;s37;s38;s38;s39;s39;s40s42;s44;s40;s42;s33;s31;s27;;s51;s51;s51;;s55;s55;s55;;s59;s59;s59;s50s51s55s59;s49;s49;s49;s48;s48;s48;s47;s47;s47;s46;s46;s46;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;