Gaussian 09 GINC-NODE19 GROTJAHN juf25b ES64L-G09RevD.01 RB3LYP GenECP FOpt #t opt=tight int=(grid=ultrafine) freq b3lyp/genecp empiricaldispersion=gd2 nosymm gfinput gfprint /opt/acooksy/g09D01/g09/g09 Output=/home/grotjahn/456/32/190328/lqa/juf25b.log PT339077.300S 2019-03-29T14:07:12.000+01:00 0 -1446.0486628 4.306E-9 7.426E-7 12.0507782,2.3520324,-14.4028105,3.7661202,-3.3404833,2.7118107 C01 [X(C23H40N2P1Ru1)] 2.2687978 1.0368422 0.1653788 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;1.3,2.3,3.3,4.3,5.3;1.3,3.3,4.3;/rA:67RuP4C3NC3C3NCHHHHCCCCCCHHHHHHHHHHHHHHCCCCHHHHHHHHHCCCHCHCHHHCCCCHHHHHHHH/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;s1s57;s58;s7;s56;s56;s57;s58;s59;s59;s59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-NODE19 GROTJAHN juf25b 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 juf25b Redundant internal coordinates found in file. Structure from the checkpoint file: "juf25b.chk" PT98216.500S 2019-03-29T20:56:43.000+01:00 349.433 0.187 316.074 -10.244 23.027 292.836 536.104 5.547 523.377 -19.537 37.684 496.483 0 -1446.0486628 1.872E-9 7.405E-7 0.5870233 0.6190239 C01 [X(C23H40N2P1Ru1)] 2.2687958 1.0368488 0.165375 -1.4315761 -0.2558104 -0.2319913 -0.1770281 -1.0658374 0.3335237 -0.090944 0.2887478 -0.841507 1.6739737 0.2794117 0.1169084 0.3460439 1.2848964 0.306295 0.2861702 0.2871448 0.9566427 -0.198949 0.2464623 0.0372145 0.1237164 0.0712816 -0.0521629 -0.0676437 -0.0385073 -0.0416609 -0.1204443 -0.069617 -0.0305429 -0.0619891 -0.4810971 -0.0322422 0.040138 -0.0390339 -0.0731797 -0.1513205 -0.2144615 -0.0328808 0.2272471 0.0433285 -0.0544363 0.0561074 0.0572927 -0.0836236 0.079026 -0.0545792 -0.0265228 -0.3776832 0.2753198 0.1211193 -0.0830241 0.107458 -0.0128107 -0.4425861 -0.0811411 -0.0388195 -0.2013287 -0.5040852 -0.0271572 -0.019583 -0.0440143 -0.1046231 0.1139711 0.0859612 -0.0061058 0.0864575 0.5508667 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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;1.3,2.3,3.3,4.3,5.3;1.3,3.3,4.3;/rA:67RuP4C3NC3C3NCHHHHCCCCCCHHHHHHHHHHHHHHCCCCHHHHHHHHHCCCHCHCHHHCCCCHHHHHHHH/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;s1s57;s58;s7;s56;s56;s57;s58;s59;s59;s59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;