%chk=/home/valentin/Almacen/Insecticides/G3/Permethrin-cis/gaussian/octanol/CONF69/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Permethrin-cis/ CONF69 octanol 0 1 Cl -4.3904933286 3.3327314383 0.2888159346 Cl -3.9081487593 2.2430793951 2.9143351468 O 1.2286917792 1.9813205726 -1.1293482292 O 0.2619255967 1.4086370416 0.8013988374 O 3.4635904834 -2.5414571883 -0.7676452337 C -1.6749046759 -0.0551036280 -1.2504893717 C -2.3744425791 1.1491872753 -0.6984174929 C -0.9656341089 1.2858663375 -1.2604418013 C -2.1413570747 -0.5489878128 -2.5983377648 C -1.2055641896 -1.1698878953 -0.3509027593 C -2.6764071381 1.2932642651 0.7331559706 C 0.1990535266 1.5503841417 -0.3947787533 C -3.5385965664 2.1702084397 1.2326316454 C 2.4497814012 2.2706998013 -0.4636822545 C 3.2557402891 1.0469332778 -0.1173261704 C 2.9344811565 -0.2190677972 -0.5848046361 C 4.3999701022 1.2170774903 0.6602245980 C 3.7529197967 -1.2968782607 -0.2673420111 C 5.2125437887 0.1366847738 0.9576971888 C 4.8921173125 -1.1351852389 0.4997931182 C 2.3230203637 -3.1679382015 -0.3487597838 C 1.8263496734 -3.0295960410 0.9420486532 C 1.6928791628 -4.0033761889 -1.2626715877 C 0.6947662402 -3.7437959808 1.3123511845 C 0.5655029105 -4.7127850975 -0.8761616141 C 0.0594846400 -4.5865181044 0.4109308252 H -3.1170330667 1.5851903907 -1.3572445576 H -0.9072667918 1.7651929461 -2.2307299311 H -2.4734621800 0.2660715325 -3.2424539281 H -1.3390632016 -1.0783241637 -3.1156798985 H -2.9764057369 -1.2426162743 -2.4821602031 H -2.0259943619 -1.8659139416 -0.1675643231 H -0.4058421043 -1.7285173164 -0.8403414942 H -0.8305335439 -0.8435580041 0.6154014680 H -2.2061600903 0.6242894323 1.4411862655 H 3.0090795457 2.8900971556 -1.1662319158 H 2.2726633293 2.8749791347 0.4292239201 H 2.0660300636 -0.3870119734 -1.2105830925 H 4.6582115273 2.2030108620 1.0285246270 H 6.1004662390 0.2800263138 1.5595978575 H 5.5192437856 -1.9861796249 0.7329800311 H 2.3142998354 -2.3824838797 1.6602919244 H 2.0875150515 -4.0982806675 -2.2667371539 H 0.3121532425 -3.6389714136 2.3195694378 H 0.0772031931 -5.3625000672 -1.5912260911 H -0.8218195901 -5.1394063424 0.7084511552 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Permethrin-cis/gaussian/octanol/CONF69/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 Permethrin-cis/ CONF69 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Permethrin-cis/gaussian/octanol/CONF69/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 Permethrin-cis/ CONF69 octanol 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Permethrin-cis/gaussian/octanol/CONF69/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point Permethrin-cis/ CONF69 octanol 0 1