%chk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF13/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Tefluthrin-cis/ CONF13 octanol 0 1 Cl -1.6219495797 1.1295586907 1.3352619641 F -2.0521184924 3.2693146873 -0.7525756695 F -1.6176292255 2.0144850085 -2.4454010829 F -0.1061664646 2.3884957925 -0.9588530670 F 3.1970451593 -1.3968847563 -1.3382078382 F 0.9686930729 -0.6402162064 2.7314524182 F 1.4728236789 1.9558434060 2.5253449804 F 3.7550085279 1.1892088972 -1.5104637217 O 0.2649023729 -2.7289459212 0.9200967796 O -0.0722812556 -1.8865927879 -1.1201520320 C -3.0629949588 -2.6313084192 -0.6815610309 C -2.8804980641 -1.2705336856 -0.1043278233 C -1.9342485261 -2.4001442468 0.3026945040 C -2.8018694791 -2.8942145169 -2.1432866208 C -4.2087275717 -3.4499236552 -0.1331954064 C -2.3929813317 -0.1288246334 -0.9012847633 C -0.5133963341 -2.3071481934 -0.0788074435 C -1.8677541293 0.9644787747 -0.3644934490 C 1.6749714897 -2.5594300041 0.7817896422 C -1.4121287572 2.1603695035 -1.1379936186 C 2.0489680501 -1.1069781485 0.6958036127 C 2.7652034225 -0.5886766566 -0.3690282574 C 1.6451228506 -0.2062024200 1.6672448686 C 1.9141807137 1.1439199814 1.5618343773 C 3.0516105203 0.7589736311 -0.4593882760 C 2.6218902767 1.6683452624 0.4931849833 C 2.9200149960 3.1298269254 0.3762916067 H -3.5587859820 -0.9863070544 0.6949707408 H -2.0976775720 -2.7904515626 1.2998537959 H -1.9934331363 -2.3070033067 -2.5693959584 H -2.5602120347 -3.9467681874 -2.2999127190 H -3.7052325159 -2.6774213604 -2.7167800878 H -5.1256988784 -3.2469618980 -0.6894779086 H -3.9972756804 -4.5173054806 -0.2170973780 H -4.4027586143 -3.2306819091 0.9176422389 H -2.4994828282 -0.1672544517 -1.9786223411 H 2.0471251024 -3.1149630838 -0.0785977178 H 2.1001234831 -3.0172424464 1.6738346252 H 2.8960276887 3.4603349413 -0.6601126587 H 2.2031175128 3.7305977475 0.9306083899 H 3.9125151165 3.3543594910 0.7706465152 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF13/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/ CONF13 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF13/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/ CONF13 octanol 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF13/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/ CONF13 octanol 0 1