TURBOMOLE 7.3 9 Jul 2018 at 10:31:25 node018.lawrence Local memory allocated for RDGRAD: 1 MiB 2023-07-10T17:32:02.198 c 1,5,8 c def2-TZVP h 2-4,6-7,9-10,12 h def2-TZVP o 11 o def2-TZVP uhf dft pbe0 m4 rij c h o def2-TZVP def2-TZVP def2-TZVP 5s3p2d1f 3s1p 5s3p2d1f 52.0315 AuxInfo=1/0/N:1,5,8,11/rA:12nCHHHCHHCHHOH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;/rC:-3.2013,.3388,.005;-2.8484,-.6951,-.046;-2.8399,.8548,-.8865;-4.2936,.3178,-.0457;-2.719,1.0257,1.2709;-1.6253,1.0535,1.2981;-3.0588,2.0657,1.2955;-3.2098,.3327,2.5202;-2.8677,-.7133,2.5192;-4.3102,.3177,2.5247;-2.7081,1.0285,3.6443;-3.0207,.5938,4.4404; disp3 c1 c1(z) c h o 3 8 1 46 8 46 31 6 31 def2-TZVP def2-TZVP def2-TZVP [5s3p2d1f|11s6p2d1f] [3s1p|5s1p] [5s3p2d1f|11s6p2d1f] c1 c1(z) c1 c1(z) c h o 3 8 1 46 8 46 31 6 31 def2-TZVP def2-TZVP def2-TZVP [5s3p2d1f|11s6p2d1f] [3s1p|5s1p] [5s3p2d1f|11s6p2d1f] c1 c1(z) rdgrad node018.lawrence TURBOMOLE 9 Jul 2018 at 10:31:25 7.3 Local memory allocated for RDGRAD: 1 MiB statpt node018.lawrence TURBOMOLE 1 Jul 2018 at 20:38:15 7.3 2023-07-10T17:32:03.545 52.0315 AuxInfo=1/0/N:1,5,8,11/rA:12nCHHHCHHCHHOH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;/rC:-3.2013,.3389,.005;-2.8488,-.6953,-.046;-2.8396,.8547,-.8866;-4.2938,.3183,-.046;-2.719,1.0256,1.2709;-1.6253,1.0535,1.2981;-3.0589,2.0656,1.2956;-3.2097,.3327,2.5204;-2.8673,-.7134,2.5194;-4.3102,.3172,2.5247;-2.7082,1.0289,3.6443;-3.0208,.5939,4.4404; -5.59888815 1.27888349 3.61907640 -5.63084838 1.23434658 3.50332863 ridft node018.lawrence TURBOMOLE 9 Jul 2018 at 10:31:25 7.3 2023-07-10T17:32:05.110 52.0315 AuxInfo=1/0/N:1,5,8,11/rA:12nCHHHCHHCHHOH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;/rC:-3.2013,.3388,.005;-2.8484,-.6951,-.046;-2.8399,.8548,-.8865;-4.2936,.3178,-.0457;-2.719,1.0257,1.2709;-1.6253,1.0535,1.2981;-3.0588,2.0657,1.2955;-3.2098,.3327,2.5202;-2.8677,-.7133,2.5192;-4.3102,.3177,2.5247;-2.7081,1.0285,3.6443;-3.0207,.5938,4.4404; -5.59887579 1.27874890 3.61902445 -5.63083785 1.23423475 3.50328701 rdgrad node018.lawrence TURBOMOLE 9 Jul 2018 at 10:31:25 7.3 2023-07-10T17:32:02.198 statpt node018.lawrence TURBOMOLE 1 Jul 2018 at 20:38:15 7.3 2023-07-10T17:32:03.545 52.0315 AuxInfo=1/0/N:1,5,8,11/rA:12nCHHHCHHCHHOH/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;s8;s11;/rC:-3.2013,.3389,.005;-2.8488,-.6953,-.046;-2.8396,.8547,-.8866;-4.2938,.3183,-.046;-2.719,1.0256,1.2709;-1.6253,1.0535,1.2981;-3.0589,2.0656,1.2956;-3.2097,.3327,2.5204;-2.8673,-.7134,2.5194;-4.3102,.3172,2.5247;-2.7082,1.0289,3.6443;-3.0208,.5939,4.4404; -5.59888815 1.27888349 3.61907640 -5.63084838 1.23434658 3.50332863 ridft 2023-07-10T17:32:05.110 -5.59887579 1.27874890 3.61902445 -5.63083785 1.23423475 3.50328701 2023-07-10T17:32:06.463 -0.0208246745 -0.0982662910 -0.0544952070 0.0770887026 0.3747180487 0.0109713534 0.1214446123 -0.0200329143 0.0070065152 0.0728315991 0.0324940920 -0.0173270005 0.0200896281 -0.0496705897 0.1135274613 -0.0197424176 0.0684698296 0.0746374468 -0.0376622572 0.0735834202 0.0278118924 0.0304658528 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