Gaussian 16 GINC-CN262 20CY91R06 li4moiety_opt_freq_wb97xd_def2tzvpp EM64L-G16RevB.01 RwB97XD def2TZVPP FOpt # opt=maxcycles=2048 freq=noraman wb97xd def2tzvpp scf=(xqc,maxcycles=9000) g16 Output=storeh3NEW.log PT3323459.800S Sun Aug 1 04:33:04 2021 0 1-A -2080.5855761 8.606E-9 3.477E-5 -10.0772954,12.0213247,-1.9440293,4.1848742,-3.8161872,0.6848686 C01 [X(C36H36Li4N12)] -2.9036889 0.6289567 0.4078215 628.2296 AuxInfo=1/0/N:1,2,46,47,20,21,34,35,3,6,45,48,19,22,33,32,56,53,55,54,4,5,43,44,15,16,30,31,7,8,42,14,40,17,29,27,64,57,63,58,62,59,61,60,9,41,18,28;77;78;79;80;69;70;71;72;73;74;75;76;81;82;83;84;85;86;87;88/E:(1,2,3,4,5,6,7,8)(9,10,11,12,13,14,15,16)(17,18,19,20)(21,22,23,24,25,26,27,28)(29,30,31,32,33,34,35,36)(37,38,39,40,41,42,43,44)(45,46,47,48);;;;;;;;;;;;;;;;;;;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.2,38.2,39.2,40.2,41.2,42.2,43.2,44.2,45-1,46-1,47-1,48-1;;;;;;;;;;;;;;;;;;;;/rA:88C3C3C3C3C3C3C3C3NHHHHC3C3C3C3NC3C3C3C3HHHHC3NC3C3C3C3C3C3C3HHHHC3NC3C3C3C3C3C3C3HHHHC3C3C3C3N2N2N2N2N2N2N2N2HHHHH0H0H0H0H0H0H0H0LiLiLiLiH0H0H0H0H0H0H0H0/rB:s1;s1;s3;s4;s2s5;s4;s5;s7s8;s1;s3;s2;s6;;s14;s15;s16;s14s17;s15;s19;s20;s16s21;s19;s20;s22;s21;;s27;s28;s29;s27s30;s31;s30;s33;s32s34;s33;s34;s32;s35;;s40;s41;s42;s40s43;s43;s45;s46;s44s47;s47;s48;s45;s46;;;;;s8s53;s14s53;s17s54;s27s54;s29s55;s40s55;s42s56;s7s56;s53;s54;s55;s56;;;;;;;;;s41;s28;s18;s9;;;;;;;;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-CN262 20CY91R06 li4moiety_opt_freq_wb97xd_def2tzvpp EM64L-G16RevB.01 RwB97XD def2TZVPP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/def2TZVPP Freq 2 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/def2TZVPP Freq 1/6=2048,10=4,29=7,30=1,38=1,40=1/1,3 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,25=1,30=1,70=2,71=2,74=-58,116=1,140=1/1,2,3 4/5=101/1 5/5=2,7=9000,8=3,13=1,38=6,98=1/2,8 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 1/6=2048,10=4,30=1/3 99//99 li4moiety_opt_freq_wb97xd_def2tzvpp Redundant internal coordinates found in file. (old form). Structure from the checkpoint file: "storeh3NEW.chk" PT3902453.800S Mon Aug 2 08:03:16 2021 1330.259 -100.1221363 .542 9.344 7.093 348.170 1311.443 -69.2781329 .862 14.494 10.261 445.596 0 1-A -2080.5855761 2.878E-9 3.477E-5 0.6169421 0.673912 -10.0772682,12.0212792,-1.944011,4.1848891,-3.8162023,0.684884 C01 [X(C36H36Li4N12)] -2.9036777 0.6289567 0.4078229 0.2052335 -0.1531675 0.0001764 0.1527686 -0.0059087 -0.0123025 0.0049955 -0.0037548 -0.1203668 0.1770568 0.0806803 0.0077979 -0.2231306 0.0202513 0.0136205 0.0014931 0.0052476 -0.1197918 -0.4288723 0.1469826 0.0174814 -0.0573773 0.1111851 -0.0027547 0.0046188 -0.0087121 -0.0823173 -0.0505009 -0.1529512 -0.0273172 -0.1047626 -0.024524 0.002885 -0.105897 0.0487566 -0.0309561 0.0336644 0.1252558 -0.0225802 0.0806755 -0.1108174 0.005647 -0.1143233 -0.0085317 -0.0296528 -0.3837905 0.0480328 0.0169713 0.2533302 0.0712693 0.0014331 0.0102847 0.0105297 -0.0819389 1.447423 -0.1492482 -0.0126988 0.5743955 0.3683625 -0.1400861 -0.0826759 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-0.0232371 0.5915419 -4.3859278 0.0111707 -0.1369388 -0.3698054 0.0368774 1.5516268 -0.1862014 0.057385 -1.21359 -0.0503876 -0.0343253 0.0700654 -0.3005985 -0.0217964 1.8911903 -0.3696051 0.0675094 0.4944793 -0.2733445 0.0113757 0.1785458 0.2509166 -0.0209513 -0.8630785 0.1024069 -0.0214323 0.0054353 0.1190168 0.0029193 -0.0473581 -0.001923 -0.1057445 -0.7606755 0.1522734 -0.0198906 0.3408888 0.048445 0.0049912 -0.0426697 0.0150433 -0.1050802 0.1709071 0.2180555 0.0148663 -0.696245 0.1833438 -0.024702 0.0181883 0.0111146 -0.1502123 0.3522642 -0.2280312 0.0231883 0.6581869 0.089144 0.017796 0.012939 -0.0156806 -0.1489272 0.0708569 0.0337449 -0.0030341 -0.0795063 -0.0199737 -0.0000205 -0.003 0.0008312 0.1214992 -0.1664096 -0.0444258 -0.0124013 -0.0778556 0.0542162 -0.0028193 -0.0134447 -0.0093445 0.1310105 0.0728524 -0.0720395 -0.0028869 0.0440519 -0.0216165 0.0012583 -0.0029096 0.0013773 0.1215594 -0.096972 0.1011681 -0.0105752 0.1366726 -0.0127584 0.007143 -0.0086223 0.0132338 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AuxInfo=1/0/N:1,2,46,47,20,21,34,35,3,6,45,48,19,22,33,32,56,53,55,54,4,5,43,44,15,16,30,31,7,8,42,14,40,17,29,27,64,57,63,58,62,59,61,60,9,41,18,28;77;78;79;80;69;70;71;72;73;74;75;76;81;82;83;84;85;86;87;88/E:(1,2,3,4,5,6,7,8)(9,10,11,12,13,14,15,16)(17,18,19,20)(21,22,23,24,25,26,27,28)(29,30,31,32,33,34,35,36)(37,38,39,40,41,42,43,44)(45,46,47,48);;;;;;;;;;;;;;;;;;;;/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.2,38.2,39.2,40.2,41.2,42.2,43.2,44.2,45-1,46-1,47-1,48-1;;;;;;;;;;;;;;;;;;;;/rA:88C3C3C3C3C3C3C3C3NHHHHC3C3C3C3NC3C3C3C3HHHHC3NC3C3C3C3C3C3C3HHHHC3NC3C3C3C3C3C3C3HHHHC3C3C3C3N2N2N2N2N2N2N2N2HHHHH0H0H0H0H0H0H0H0LiLiLiLiH0H0H0H0H0H0H0H0/rB:s1;s1;s3;s4;s2s5;s4;s5;s7s8;s1;s3;s2;s6;;s14;s15;s16;s14s17;s15;s19;s20;s16s21;s19;s20;s22;s21;;s27;s28;s29;s27s30;s31;s30;s33;s32s34;s33;s34;s32;s35;;s40;s41;s42;s40s43;s43;s45;s46;s44s47;s47;s48;s45;s46;;;;;s8s53;s14s53;s17s54;s27s54;s29s55;s40s55;s42s56;s7s56;s53;s54;s55;s56;;;;;;;;;s41;s28;s18;s9;;;;;;;;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;