%chk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Tefluthrin-cis/ CONF10 octanol 0 1 Cl -1.6016889592 1.1141867386 1.3191326808 F -0.1322847267 2.3493304885 -1.0233800250 F -2.0496764762 3.2685640585 -0.7384003204 F -1.7037140959 2.0186268383 -2.4559888324 F 3.1370353137 -1.3504225470 -1.4002987817 F 0.9935667667 -0.6563693216 2.7246251516 F 1.5503855088 1.9351959282 2.5759482211 F 3.7498650286 1.2261371226 -1.5147598977 O 0.2502242814 -2.7142411879 0.8867631182 O -0.1190234009 -1.8606556706 -1.1431875383 C -3.1002040708 -2.6325293914 -0.6627357320 C -2.9182001892 -1.2697519879 -0.0908970621 C -1.9581584839 -2.3914510073 0.3038754589 C -2.8595405509 -2.8944130340 -2.1280570882 C -4.2302546285 -3.4593515522 -0.0947700972 C -2.4477092377 -0.1282262105 -0.8986455773 C -0.5437155188 -2.2897521480 -0.0985669948 C -1.8989170900 0.9587792484 -0.3735606220 C 1.6571159465 -2.5445629940 0.7268126339 C -1.4484977046 2.1502932850 -1.1558647643 C 2.0385125005 -1.0926859935 0.6638789184 C 2.7445973240 -0.5599797457 -0.4004649687 C 1.6664146556 -0.2093199660 1.6636107051 C 1.9679715849 1.1360462886 1.5913201159 C 3.0640533501 0.7822898087 -0.4577964399 C 2.6872879521 1.6711540977 0.5356777384 C 3.0144384394 3.1291441874 0.4584070665 H -3.5855555961 -0.9863401126 0.7178920822 H -2.1035304781 -2.7820401271 1.3038051465 H -2.6134989614 -3.9453716368 -2.2885768292 H -3.7728691131 -2.6833839953 -2.6877328584 H -2.0614615766 -2.3017598767 -2.5663242444 H -4.4079053528 -3.2405405735 0.9589913981 H -5.1580326315 -3.2639379511 -0.6355979469 H -4.0119598963 -4.5252202697 -0.1812857465 H -2.5845996246 -0.1627281279 -1.9727193100 H 2.0133356770 -3.0846578377 -0.1499041635 H 2.0967571972 -3.0197499496 1.6024296067 H 3.0598809291 3.5817594034 1.4462294160 H 3.9747131831 3.2983153948 -0.0243221711 H 2.2564798745 3.6643103406 -0.1156847748 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction Tefluthrin-cis/ CONF10 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Tefluthrin-cis/ CONF10 octanol 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point Tefluthrin-cis/ CONF10 octanol 0 1