%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Permethrin-cis CONF148 octanol 0 1 Cl -0.8176717860 2.0499710894 2.6529832340 Cl -0.0571092659 -0.7329543590 2.6665774010 O 0.2261583577 1.9211629754 -0.5629113093 O -0.2465902494 4.0892660828 -0.7486792669 O 1.9662396540 -2.7252102700 -0.1034258279 C -2.7403853679 1.4682473194 -1.2595404089 C -2.5740645769 1.3456899584 0.2170534323 C -2.0397178299 2.5787202373 -0.4917135031 C -4.1161568270 1.8209007375 -1.7728462341 C -1.9804102190 0.5587368985 -2.1924573450 C -1.7211812916 0.3053628786 0.8336243727 C -0.6135280486 2.9432211719 -0.6181356610 C -0.9724118055 0.5078842893 1.9068576087 C 1.6206423770 2.1918795892 -0.5959002744 C 2.3777359472 0.9141465890 -0.3659282117 C 1.7574116018 -0.3286192823 -0.3643259630 C 3.7515127279 0.9992154780 -0.1575271811 C 2.5135914523 -1.4771751242 -0.1593681901 C 4.4927281894 -0.1530292129 0.0481592827 C 3.8837197766 -1.3985992325 0.0465571263 C 0.7172277661 -2.9681147316 -0.6130161560 C 0.4232979530 -2.7329222441 -1.9505234771 C -0.2293302239 -3.5227321561 0.2348623823 C -0.8365711257 -3.0547105270 -2.4337510704 C -1.4828304964 -3.8513820283 -0.2640151571 C -1.7931846168 -3.6137510288 -1.5955548507 H -3.4609472305 1.5651925715 0.8071659983 H -2.6416775889 3.4685979941 -0.3492883319 H -4.7148111743 0.9187045534 -1.9132450791 H -4.6545419095 2.4719120710 -1.0830695702 H -4.0551554777 2.3323760435 -2.7351248195 H -2.5879973976 -0.3210217287 -2.4138079323 H -1.7772454136 1.0620849074 -3.1395740632 H -1.0328071527 0.2029874010 -1.7974815999 H -1.7499276880 -0.6970948946 0.4188222803 H 1.8972356233 2.6237135906 -1.5622359405 H 1.8817540757 2.9211391858 0.1753165640 H 0.6898808864 -0.4049572125 -0.5098953517 H 4.2410361685 1.9657530710 -0.1512418031 H 5.5602089211 -0.0840591287 0.2127849258 H 4.4612235669 -2.2993784697 0.2115642684 H 1.1689430431 -2.3077679752 -2.6110801387 H 0.0172640326 -3.7072308968 1.2724061350 H -1.0677876523 -2.8724323202 -3.4754666964 H -2.2192272051 -4.2909717822 0.3963121564 H -2.7720066708 -3.8683372279 -1.9806380845 --Link1-- %oldchk=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 CONF148 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=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 CONF148 octanol 0 1 --Link1-- %oldchk=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 CONF148 octanol 0 1