Gaussian 16 GINC-COMET-10-03 TANTILLO Title Card Required ES64L-G16RevC.01 RmPW1PW91 6-31+G(d,p) FOpt # mPW1PW91/6-31+G(d,p) # opt freq g16 /opt/gaussian/16.C.01/g16/l1.exe "/scratch/tantillo/39005638/Gau-25402.inp" -scrdir="/scratch/tantillo/39005638/" PT325835.700S Mon Apr 5 23:32:25 2021 0 1-A -781.5905447 6.538E-9 7.355E-6 3.6738006,-4.0621045,0.3883038,0.0053114,-10.3849292,5.456904 C01 [X(C20H33)] -1.9213829 0.7069151 2.2553783 240.21399999999988 AuxInfo=1/0/N:19,23,41,33,15,47,44,37,50,1,30,6,28,18,40,32,2,5,3,4/E:(1,2)/CRV:7.3,13.3,14.3,15.3,16.3/rA:53CCCCCCHHHHHHHHCHHC3CHHHCHHHHC3HCHC3CHHHCHHC3CHHC3HHCHHCHHH/rB:s1;s2;s3;s4;s1s5;s3;s2;s1;s1;s4;s5;s6;s6;s2;s15;s15;s5;s18;s19;s19;s19;s18;s23;s23;s23;s15;s4;s28;s3;s30;s28;s32;s33;s33;s33;s32;s37;s37;;s40;s41;s41;s40;s44;s41;s37s44;s47;s47;s30s40;s50;s50;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-COMET-10-03 TANTILLO Title Card Required ES64L-G16RevC.01 RmPW1PW91 6-31+G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RmPW1PW91/6-31+G(d,p) Freq 2 Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RmPW1PW91/6-31+G(d,p) 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=-7,116=1,140=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 Title Card Required Redundant internal coordinates found in file. (old form). Structure from the checkpoint file: "JeffD.chk" PT34768.400S Tue Apr 6 00:44:57 2021 265.830 -0.165 237.118 7.465 -2.190 185.773 361.807 0.847 337.352 19.099 -7.116 291.647 0 1-A -781.5905447 3.894E-9 7.354E-6 0.488614 0.5104518 -781.0800929 -781.0791488 -781.1505483 3.6738001,-4.0621045,0.3883044,0.0053091,-10.38493,5.4569059 C01 [X(C20H33)] -1.9213833 0.7069153 2.2553781 0.009616 -0.0055778 0.0347463 -0.0377596 -0.0109065 -0.0073453 0.0378556 0.0636153 0.1020524 0.1201073 -0.0580412 -0.028201 -0.0112371 0.16692 -0.0346503 -0.007847 -0.1240929 0.0175006 -0.2227671 0.1737473 0.2110586 -0.0846316 0.1618277 0.1488839 -0.1839565 0.2296115 0.3544719 0.9557295 -0.2421647 -0.6627106 0.3543437 -0.0138556 -0.2244573 -0.0122201 -0.1798096 -0.117642 -0.4822725 0.3339354 0.5808457 0.2903247 -0.1786793 -0.3266429 0.4205499 -0.216329 -0.3933058 0.1578051 -0.0221591 -0.054849 0.0552265 0.209969 0.0495595 -0.0474274 -0.0351621 0.0810551 -0.0606374 0.0059029 -0.0506987 0.0664325 0.0140632 -0.0679027 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0.0079342 -0.0899314 -0.0638046 0.0034034 0.0743635 -0.1368591 0.055089 0.0345735 0.0665138 0.0159131 0.0509658 -0.0030855 -0.0107011 -0.0170924 -0.0098734 -0.0297283 0.041949 -0.0981327 -0.0851421 -0.0674776 -0.0981665 0.0169192 -0.0548027 -0.0238149 -0.0275686 0.0070175 0.9053487 0.2016865 -0.1379158 0.1891061 0.0047768 -0.4322448 0.3249103 -0.1624035 -0.079884 -0.1923025 -0.0056526 -0.064782 0.0284737 0.0226848 0.0889401 -0.0611197 0.0623822 0.0049414 0.0218169 -0.0829783 0.0615417 -0.0448797 -0.0444205 0.082703 0.0154505 0.0516166 0.0254755 -0.0177001 0.0220142 0.0345503 0.08654 0.082398 0.007136 0.0468989 -0.0427646 0.0518459 0.0765341 -0.0163559 -0.0215114 -0.0133664 0.0109557 -0.0868157 -0.0974367 -0.0443343 0.0124992 -0.0078656 -0.0940368 0.0530267 0.0795484 0.1266874 0.0563395 0.1471413 0.0583524 -0.0591647 -0.0122018 -0.0594033 -0.0420834 -0.0942469 0.0021081 -0.0183372 -0.0629742 -0.1097001 -0.0522498 -0.0633504 0.1043831 -0.0071508 0.0122932 -0.0133657 0.0403075 -0.0268835 0.0621962 0.0276073 0.1661995 -0.0815525 0.0733422 -0.0854734 0.1765582 0.0777126 0.1747399 0.02543 -0.2148573 -0.032953 0.0583767 -0.0342779 0.0835254 -0.0348203 -0.0445947 -0.02912 -0.0640621 0.1014089 0.0603309 0.0629579 0.0129736 0.0331925 0.025053 -0.0474947 0.0669011 -0.0637557 -0.0510674 -0.0472821 -0.027322 -0.0575782 -0.0995154 0.0345619 -0.0285703 -0.102817 -0.0126816 0.0416218 -0.1343338 -0.0466273 0.2138997 -0.0315104 -0.0887012 -0.016629 0.1258317 0.137557 -0.1548452 -0.0581397 0.0888709 -0.0970502 0.0772083 -0.0070124 -0.0235404 -0.0676462 -0.028917 0.0963687 0.0395558 -0.0452688 0.0568532 -0.0492951 -0.0649546 0.0768193 0.0090523 0.1272077 0.0132808 0.1329527 0.089319 -0.0430363 -0.148638 0.0320429 0.0589694 -0.0970603 -0.0384663 0.2044956 -0.0461054 0.0379759 -0.0268715 0.1238661 0.0142081 0.0083051 -0.0500766 0.0019587 0.0130879 0.0062734 -0.0885952 0.0214687 -0.0724269 -0.0689021 0.0247454 0.0919671 0.048029 -0.0209042 0.0145307 -0.0019131 -0.0755969 0.0374645 0.1552401 0.0383709 -0.0468574 0.0153642 0.140665 -0.0059443 -0.0248241 -0.0226074 0.0039807 0.016184 0.0953544 -0.0280814 0.0177626 -0.0848389 0.0177837 0.0231119 0.0270318 0.0181306 -0.1184197 -0.0814377 0.0035512 -0.0150627 0.0562133 0.0367935 0.0401313 0.0367445 0.0586513 -0.1240555 -0.0012504 0.0592488 -0.0041885 0.0236608 245.5123484|18.9360056|224.702402|-30.0005989|15.7086238|218.5058839 240.21399999999988 AuxInfo=1/0/N:19,23,41,33,15,47,44,37,50,1,30,6,28,18,40,32,2,5,3,4/E:(1,2)/CRV:7.3,13.3,14.3,15.3,16.3/rA:53CCCCCCHHHHHHHHCHHC3CHHHCHHHHC3HCHC3CHHHCHHC3CHHC3HHCHHCHHH/rB:s1;s2;s3;s4;s1s5;s3;s2;s1;s1;s4;s5;s6;s6;s2;s15;s15;s5;s18;s19;s19;s19;s18;s23;s23;s23;s15;s4;s28;s3;s30;s28;s32;s33;s33;s33;s32;s37;s37;;s40;s41;s41;s40;s44;s41;s37s44;s47;s47;s30s40;s50;s50;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;