Gaussian 09 GINC-NODE15 GROTJAHN juf11 ES64L-G09RevD.01 RB3LYP GenECP FTS #t opt=(ts,calcfc,noeigentest,tight) freq int=(grid=ultrafine) b3lyp/genecp empiricaldispersion=gd2 nosymm gfinput gfprint /opt/acooksy/g09D01/g09/g09 Output=/home/grotjahn/456/32/180710/6.3/j/juf11.log PT149436.700S 2018-09-18T04:28:33.000+02:00 0.000 0.000 0.000 0.000 0.000 0.000 506.307 11.629 508.423 0.179 5.534 507.846 0 -1446.0403092 5.771E-9 4.043E-7 7.0706201,3.952167,-11.0227871,4.6660708,1.9552996,1.9879286 C01 [X(C23H40N2P1Ru1)] -0.7691741 1.0899414 0.1427723 436.30326099999974 AuxInfo=1/0/N:14,15,17,18,34,35,36,8,5,13,16,6,3,33,7,4,2;46,47,48,50,52;56,59,57,58;1/E:(1,2,3,4)(5,6,7)(10,11);(1,2,3,4,5);;/CRV:9.3,12.3,13.3,15.2;1.3,2.3,3.3,4.3,5.3;1.3,3.3;/rA:67RuP4C3NC3C3N2CHHHHCCCCCCHHHHHHHHHHHHHHCCCCHHHHHHHHHCCCHCHCHHHCCCCHHHHHHHH/rB:s1;s2;s3;s4;s5;s3s6;s4;s8;s8;s8;s5;s2;s13;s13;s2;s16;s16;s13;s16;s14;s14;s14;s15;s15;s15;s17;s17;s17;s18;s18;s18;s6;s33;s33;s33;s34;s34;s34;s35;s35;s35;s36;s36;s36;s1;s1s46;s1s46;s46;s1s47;s47;s1s48s50;s48;s50;s52;s1;s1s56;s57;s58;s58;s56;s56;s57;s58;s59;s59;s59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-NODE15 GROTJAHN juf11 ES64L-G09RevD.01 RB3LYP GenECP Freq #T Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/GenECP Freq 2 #T Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/GenECP Freq juf11 Redundant internal coordinates found in file. Structure from the checkpoint file: "juf11.chk" PT113948S 2018-09-18T12:23:25.000+02:00 327.013 -2.146 326.721 4.364 3.876 295.946 506.666 11.318 508.739 1.694 5.284 507.330 0 -1446.0403092 3.511E-9 4.063E-7 0.5851322 0.6172273 C01 [X(C23H40N2P1Ru1)] -0.7691741 1.0899367 0.1427742 -0.5662114 -0.0557533 0.1862779 -0.0162944 -0.3047361 -0.1075223 0.1028652 -0.1596848 -0.5287817 1.3327665 0.0666767 0.0210414 0.0740516 1.0972653 0.1330479 0.1310457 0.1751138 0.8198731 -0.2582521 0.320891 0.0705046 0.332515 0.0100276 -0.0758403 -0.1029415 0.0337264 -0.1409437 -0.0388283 -0.1668692 -0.0561163 -0.0890138 -0.6555182 -0.0440099 -0.0185055 -0.185073 -0.1067282 -0.2311464 -0.1655308 -0.0215738 0.2656019 0.1040791 -0.0103843 0.0811375 0.0760119 -0.0952002 -0.1141812 -0.1007558 0.0114566 -0.4079058 0.3620178 0.1127754 -0.0564359 0.0418129 -0.0550026 -0.5156029 0.0011836 0.0064194 -0.1670239 -0.5749226 -0.0022 -0.0278552 -0.0423952 -0.1975843 0.1478293 0.1190259 0.0169955 0.1405073 0.5673039 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AuxInfo=1/0/N:14,15,17,18,34,35,36,8,5,13,16,6,3,33,7,4,2;46,47,48,50,52;56,59,57,58;1/E:(1,2,3,4)(5,6,7)(10,11);(1,2,3,4,5);;/CRV:9.3,12.3,13.3,15.2;1.3,2.3,3.3,4.3,5.3;1.3,3.3;/rA:67RuP4C3NC3C3N2CHHHHCCCCCCHHHHHHHHHHHHHHCCCCHHHHHHHHHCCCHCHCHHHCCCCHHHHHHHH/rB:s1;s2;s3;s4;s5;s3s6;s4;s8;s8;s8;s5;s2;s13;s13;s2;s16;s16;s13;s16;s14;s14;s14;s15;s15;s15;s17;s17;s17;s18;s18;s18;s6;s33;s33;s33;s34;s34;s34;s35;s35;s35;s36;s36;s36;s1;s1s46;s1s46;s46;s1s47;s47;s1s48s50;s48;s50;s52;s1;s1s56;s57;s58;s58;s56;s56;s57;s58;s59;s59;s59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;