Gaussian 09 GINC-NODE21 GROTJAHN iuf29b 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/456/32/190223/ab/iuf29b.log PT360714.900S 2019-03-12T22:33:34.000+01:00 0 -1446.0501504 5.607E-9 1.177E-6 10.6139568,1.6231389,-12.2370957,4.0011698,5.5256281,-6.3507599 C01 [X(C23H40N2P1Ru1)] 2.2600324 1.2878052 0.152903 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-NODE21 GROTJAHN iuf29b 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 iuf29b Redundant internal coordinates found in file. Structure from the checkpoint file: "iuf29b.chk" PT116794.700S 2019-03-13T06:41:02.000+01:00 340.035 8.460 328.844 8.438 -7.523 287.753 531.462 4.465 533.402 -11.098 1.313 489.294 0 -1446.0501504 8.774E-9 1.174E-6 0.5878741 0.6197081 C01 [X(C23H40N2P1Ru1)] 2.2600401 1.2878114 0.1529096 -1.3906109 -0.293055 -0.2131 -0.3118014 -1.0525873 0.3492628 -0.1602255 0.3242769 -0.965681 1.6447775 0.4036164 0.1703801 0.4591369 1.5475064 0.0394746 0.2484505 -0.0054831 0.8524388 -0.2612911 0.1668568 -0.1921118 0.0801648 -0.0242233 -0.0457267 -0.1878206 0.0257453 -0.0901123 -0.1485377 -0.1490062 -0.0080059 -0.0430332 -0.3809167 0.192753 0.0332061 0.108754 -0.138567 -0.1376496 -0.1920811 0.066512 0.2142342 0.0009451 -0.0444206 -0.1072208 -0.0467667 -0.0640788 0.0274734 -0.0143814 0.050076 -0.3222355 0.1941946 -0.2195624 0.2234903 -0.1943104 0.1182244 -0.5495502 -0.1528228 -0.1093544 -0.3148503 -0.4130564 0.0759905 0.0304169 0.1720566 -0.1936726 0.1408933 0.1114533 -0.0601292 0.0983771 0.444881 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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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;