%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/octanol/CONF30/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization dimoxystrobin CONF30 octanol 0 1 O 0.4161690505 -0.0964242687 -2.2766236848 O -3.6619627497 -0.2107953062 -0.0113347927 O -0.0664730560 -0.2819713278 2.7900501212 N -2.9570340921 -0.8256275672 0.9524058010 N -1.4458949018 -2.0666632466 2.7737220844 C -0.8225132409 1.1052544700 -0.5532672706 C -0.6743852085 -0.1453687124 -1.3848960297 C -1.4164502255 1.0591758648 0.7098477599 C 1.6788219802 -0.2397137368 -1.8025977098 C 2.6852581320 -0.2209999077 -2.7761905368 C 1.9902669564 -0.4036780174 -0.4571324755 C -0.3950352746 2.3332638130 -1.0491552842 C 3.3124367114 -0.5651186496 -0.0458347165 C -1.5735095270 2.2252558072 1.4527717231 C 3.9956929692 -0.3830435210 -2.3477668085 C -1.8904832831 -0.2200514282 1.2864699999 C 4.3150044999 -0.5553867539 -1.0074349330 C -0.5551859318 3.4928766229 -0.3068302106 C -1.1476939434 3.4422903502 0.9468008414 C 2.3468546356 -0.0392240999 -4.2249912803 C 3.6412116144 -0.7214645920 1.4100230300 C -1.0546722393 -0.8627067024 2.3570224967 C -0.7346033973 -2.7936024953 3.7967843374 C -4.8370044796 -0.9481617302 -0.3193468218 H -0.6158462697 -1.0393933969 -0.7548709212 H -1.5539592332 -0.2669906393 -2.0209253968 H 1.2164332364 -0.4056480560 0.2993452830 H 0.0696599268 2.3920300348 -2.0252403737 H -2.0328928623 2.1791778679 2.4323409082 H 4.7893175522 -0.3779071372 -3.0862340563 H 5.3504452611 -0.6802538504 -0.7132714772 H -0.2160559843 4.4384322122 -0.7099797947 H -1.2743658456 4.3451962780 1.5295277654 H 3.2488375390 -0.0542356877 -4.8358589656 H 1.6874960337 -0.8272048718 -4.5949736363 H 1.8411027627 0.9106388197 -4.4113747904 H 2.7518560926 -0.9237036668 2.0066305925 H 4.3479096767 -1.5357010929 1.5751849371 H 4.1014353385 0.1850193941 1.8093479934 H -2.2758644250 -2.4714561450 2.3694603571 H 0.3139882731 -2.9346849190 3.5327791237 H -1.1920368999 -3.7731081988 3.9041258771 H -0.7795793674 -2.2879831402 4.7623951515 H -5.3582608696 -0.3728657493 -1.0815978117 H -5.4834300113 -1.0533467409 0.5537259545 H -4.5974986067 -1.9358618898 -0.7173897397 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/octanol/CONF30/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 dimoxystrobin CONF30 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/octanol/CONF30/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 dimoxystrobin CONF30 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/dimoxystrobin/octanol/CONF30/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point dimoxystrobin CONF30 octanol 0 1