%chk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF72/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Tefluthrin-cis/ CONF72 octanol 0 1 Cl -4.9250319755 1.1951487182 1.1207378406 F -4.1411117215 1.9728042593 -2.6001961823 F -4.5469194655 3.3054870843 -0.9594231766 F -6.0471765637 1.9135397399 -1.6040180138 F 3.7571047799 -2.3003598482 -0.6292709544 F 2.6905145707 2.0019990000 0.9264174983 F 4.7915651044 1.9494939171 2.5410191048 F 5.8689976717 -2.3549426071 0.9959443254 O 0.8876991665 -0.6598108355 -0.1128952084 O -0.4914091970 -0.1639114295 -1.7932013060 C -2.3451615020 -2.2536713754 -0.3524807997 C -2.7886836661 -0.9048233865 0.1452144013 C -1.3103085375 -1.2866250250 0.1717300930 C -2.4277818363 -2.6097028253 -1.8159650467 C -2.6347045927 -3.4294141773 0.5501566418 C -3.3018917637 0.1231980001 -0.7603173891 C -0.3071964212 -0.6430815308 -0.7004695176 C -4.2073833331 1.0429693201 -0.4449197733 C 1.9845536800 -0.0940064399 -0.8386266204 C -4.7317876143 2.0592350258 -1.4089851699 C 3.1697856497 -0.1338027438 0.0733821012 C 4.0039239071 -1.2386025940 0.1386128787 C 3.4671605639 0.9186708320 0.9214931074 C 4.5609031671 0.8866927182 1.7665496831 C 5.0941133993 -1.2680988441 0.9836324400 C 5.4066841145 -0.2083193643 1.8213600765 C 6.5929369093 -0.2759932685 2.7304378152 H -3.2303784266 -0.9027686782 1.1346449797 H -0.9368884186 -1.5116552381 1.1636379311 H -3.4245496977 -2.9939124631 -2.0395478479 H -2.2335828652 -1.7870705642 -2.4980324380 H -1.7122762052 -3.4003321728 -2.0480308763 H -1.9153992951 -4.2318888145 0.3758338561 H -2.5828071748 -3.1596652094 1.6054614176 H -3.6321787800 -3.8273288305 0.3553715749 H -2.9319083049 0.1396977589 -1.7755227917 H 1.7603599820 0.9298902980 -1.1382744839 H 2.1711587977 -0.6668091777 -1.7477519041 H 6.4601303369 -1.0515821242 3.4856677526 H 7.5002187823 -0.5101670193 2.1740184527 H 6.7588883128 0.6639302808 3.2495044171 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF72/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/ CONF72 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF72/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/ CONF72 octanol 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-cis/gaussian/octanol/CONF72/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/ CONF72 octanol 0 1