%chk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/gaussian/octanol/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Deltamethrin-trans/ CONF10 octanol 0 1 Br -2.8100622431 1.0504457186 -1.6732532509 Br -4.2189462053 0.4860683252 1.0929548672 O 2.4027746827 1.3609083841 -0.4034212221 O 3.0865274672 1.6895053439 1.6952196164 O 1.9217504690 -3.6026809190 0.5689499392 N 3.7923432138 0.8251857858 -3.3372295275 C 0.1582850090 3.3512040684 0.4432865015 C -0.3353239576 1.9433990849 0.2410503717 C 0.8417900274 2.2000997841 1.1550426833 C 0.8205311241 4.0454798815 -0.7207479296 C -0.6305547860 4.2915633437 1.3211440782 C -1.5919310043 1.4777257733 0.8534894680 C 2.2128943296 1.7397590581 0.8686592491 C -2.6763856440 1.0799674791 0.1972458192 C 3.6728769754 0.8206278383 -0.7268264155 C 3.8574526111 -0.5895781462 -0.2075031361 C 3.7258756006 0.8259810681 -2.1906138417 C 2.7531938089 -1.4242734526 -0.0771972749 C 5.1322929360 -1.0366172899 0.0986524320 C 2.9389084626 -2.7209505818 0.3822547911 C 5.3019971657 -2.3428445559 0.5401617178 C 4.2156968334 -3.1856386750 0.6872225851 C 0.6307171855 -3.2158291804 0.2925092559 C -0.1877228983 -2.8159472857 1.3377008485 C 0.1576257306 -3.2716102552 -1.0102451421 C -1.5081382710 -2.4780310143 1.0719440967 C -1.1617952669 -2.9251413098 -1.2641387196 C -1.9968086038 -2.5300069912 -0.2263992220 H -0.0981000717 1.5201112825 -0.7284357412 H 0.6337036967 2.1533268784 2.2186618867 H 1.2778820485 3.3622969543 -1.4331915127 H 1.5900177502 4.7372640899 -0.3723029492 H 0.0779520185 4.6307693966 -1.2661788924 H -1.0339329792 3.8079516866 2.2102755760 H -1.4664644664 4.7202214407 0.7651732843 H 0.0019034012 5.1159980220 1.6555175087 H -1.6346644175 1.4680454849 1.9376306957 H 4.4830832782 1.4632273715 -0.3658871083 H 1.7628872821 -1.0630926616 -0.3233648799 H 5.9844415906 -0.3762034710 -0.0017652941 H 6.2924863711 -2.7049114132 0.7825896088 H 4.3479957941 -4.1997912249 1.0427115863 H 0.1999179505 -2.7790439551 2.3484578150 H 0.8122226603 -3.5841766181 -1.8150466581 H -2.1540386149 -2.1755308718 1.8865445929 H -1.5380237342 -2.9664353674 -2.2782950997 H -3.0273981136 -2.2722287661 -0.4308396685 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/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 Deltamethrin-trans/ CONF10 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/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 Deltamethrin-trans/ CONF10 octanol 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Deltamethrin-trans/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 Deltamethrin-trans/ CONF10 octanol 0 1