Gaussian 09 GINC-NODE9 GROTJAHN guf11b 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/456/32/190225/29ab/guf11b.log PT212969.100S Mon Mar 4 01:16:50 2019 0 -1446.0527352 4.448E-9 1.131E-6 5.2879891,-14.8652116,9.5772225,-3.4782336,-2.7798259,-4.580361 C01[X(C23H40N2P1Ru1)] 0.2632493 0.1446984 -2.3135142 436.30326099999974 AuxInfo=1/0/N:4,5,7,8,15,16,17,18,12,3,6,11,9,14,10,13,2;19,20,23,21,22;56,64,57,58;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:67RuP4CCCCCCC3NC3C3NCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHCHHH/rB:s1;s2;s3;s3;s2;s6;s6;s2;s9;s10;s11;s9s12;s11;s14;s14;s14;s13;s1;s1s19;s1s20;s1s21;s1s19s22;s3;s4;s4;s4;s5;s5;s5;s6;s7;s7;s7;s8;s8;s8;s12;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;s19;s20;s21;s22;s23;s1;s1s56;s1s57;s56;s56;s57;s58;s10;s58;s64;s64;s64;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-NODE9 GROTJAHN guf11b 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 guf11b Redundant internal coordinates found in file. Structure from the checkpoint file: "guf11b.chk" PT94278.300S Mon Mar 4 14:22:31 2019 324.828 -6.922 298.243 -4.811 -12.977 326.123 504.036 -9.850 512.476 9.119 -9.756 526.693 0 -1446.0527352 5.383E-10 1.131E-6 0.5876882 0.6195303 C01 [X(C23H40N2P1Ru1)] 0.2632498 0.1447003 -2.3135139 -1.2136432 -0.0803352 -0.0215613 -0.0542087 -0.5789703 -0.0559131 0.0245032 -0.0646974 -1.6454063 1.1062581 -0.0367292 -0.078135 -0.0435936 0.8647368 -0.3006891 -0.0504429 -0.1812337 1.8553224 -0.0949325 -0.0486926 -0.014052 -0.0958174 0.1578298 -0.0548864 -0.0017019 0.0630864 -0.2955901 -0.0302536 0.0832685 -0.0632165 -0.0140665 -0.0260785 0.0705549 -0.0180026 -0.0287844 0.093593 0.059506 -0.0591029 0.0565584 0.1133331 -0.0853109 0.1035467 0.0244675 0.017744 0.1000608 0.0084419 0.075097 0.0649934 0.1147507 -0.0981193 0.1081961 0.0501896 0.0538348 -0.2316535 -0.0030319 0.0112735 0.0610761 -0.0585828 0.0255699 0.0025627 -0.093044 0.0158098 0.032559 0.0081794 -0.0588748 -0.0626332 0.0138819 0.003207 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AuxInfo=1/0/N:4,5,7,8,15,16,17,18,12,3,6,11,9,14,10,13,2;19,20,23,21,22;56,64,57,58;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:67RuP4CCCCCCC3NC3C3NCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHCHHH/rB:s1;s2;s3;s3;s2;s6;s6;s2;s9;s10;s11;s9s12;s11;s14;s14;s14;s13;s1;s1s19;s1s20;s1s21;s1s19s22;s3;s4;s4;s4;s5;s5;s5;s6;s7;s7;s7;s8;s8;s8;s12;s15;s15;s15;s16;s16;s16;s17;s17;s17;s18;s18;s18;s19;s20;s21;s22;s23;s1;s1s56;s1s57;s56;s56;s57;s58;s10;s58;s64;s64;s64;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;