Gaussian 09 GINC-NODE17 GROTJAHN iuf25-27b ES64L-G09RevD.01 RB3LYP GenECP FTS #t opt=(ts,noeigentest,calcfc,tight) int=(grid=ultrafine) freq b3lyp/genecp empiricaldispersion=gd2 nosymm gfinput gfprint /opt/acooksy/g09D01/g09/g09 Output=/home/grotjahn/456/32/7175/iuf25-27b.log PT145789.500S 2018-03-31T16:40:04.000+02:00 0.000 0.000 0.000 0.000 0.000 0.000 516.527 13.388 521.227 20.393 1.028 504.567 0 -1446.0428202 8.429E-9 6.157E-7 6.7192215,4.4348088,-11.1540303,8.3721196,3.7308969,-2.0604765 C01 [X(C23H40N2P1Ru1)] -1.0350758 1.029916 -0.5133641 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;60/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;1.3,3.3,4.3;;/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;s1s57;s58;s1;s56;s56;s57;s58;s59;s59;s59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-NODE17 GROTJAHN iuf25-27b 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 iuf25-27b Redundant internal coordinates found in file. Structure from the checkpoint file: "iuf25-27b.chk" PT123880.800S 2018-03-31T19:32:53.000+02:00 332.283 10.273 328.643 21.142 -8.838 293.028 516.592 13.312 521.058 21.174 0.687 504.503 0 -1446.0428202 6.982E-10 6.151E-7 0.5850745 0.6160839 C01 [X(C23H40N2P1Ru1)] -1.0350753 1.029916 -0.5133619 -1.0932663 0.0784465 0.1899377 -0.0339967 -1.1114581 0.3244757 0.2997521 0.4379566 -0.8274239 1.5489726 0.2328478 0.0993407 0.2130318 1.1158378 -0.0815813 0.2205103 0.0447389 0.8354872 -0.3253553 0.2788689 -0.1100396 0.1866639 0.0742663 -0.0206102 -0.1981226 0.033242 -0.1817944 -0.0839175 -0.046383 0.0114544 -0.0183769 -0.7041114 0.1523118 0.020879 0.0506985 -0.1112055 -0.213513 -0.1863947 0.0178408 0.2021585 0.0923121 -0.0109511 -0.0530637 -0.0712201 -0.0938875 -0.0374272 -0.1515752 0.0567351 -0.507804 0.3105765 -0.1900664 0.1121238 -0.1197827 -0.0047947 -0.5590129 0.0194025 -0.1067337 -0.155501 -0.535019 0.0498525 -0.0975165 0.0723199 -0.2475304 0.1282145 0.0568028 -0.0300277 0.1027168 0.5441424 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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;60/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;1.3,3.3,4.3;;/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;s1s57;s58;s1;s56;s56;s57;s58;s59;s59;s59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;