%chk=/home/valentin/Almacen/Insecticides/G1/Isoprocarb/gaussian/octanol/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Isoprocarb/ CONF10 octanol 0 1 O 0.8436439950 0.2700042748 0.8442540488 O 1.6357282723 0.9125085271 -1.1734230460 N 3.0242838596 0.1942560907 0.4717284142 C -0.7668152695 -1.8486419775 -0.1884107540 C -1.2736036611 -0.4310043743 -0.0283335356 C -1.5083261887 -2.6353057948 -1.2634350606 C -0.8281138052 -2.5845893115 1.1517315348 C -0.4480696117 0.5785419907 0.4633647420 C -2.5916109907 -0.0773986766 -0.3135412638 C -0.8904069667 1.8779249908 0.6452423878 C -3.0557829582 1.2180727529 -0.1344346538 C -2.2042515561 2.2015814554 0.3457003823 C 1.8334149595 0.4914722525 -0.0548539437 C 4.2373882828 0.2808808641 -0.3047095855 H 0.2811321132 -1.8062593982 -0.4977231072 H -1.5262195183 -2.1057678559 -2.2172649953 H -2.5392899616 -2.8553712444 -0.9806196652 H -1.0116973287 -3.5924708288 -1.4291908207 H -0.2569567544 -2.0727210915 1.9270078674 H -0.4232863230 -3.5940948010 1.0564270989 H -1.8593033031 -2.6717064182 1.5006551222 H -3.2749006918 -0.8257832081 -0.6934528373 H -0.2097719821 2.6283575059 1.0284029214 H -4.0854587112 1.4559659282 -0.3684760994 H -2.5568074075 3.2148070476 0.4875104204 H 3.0640714927 -0.2098275121 1.3936617314 H 4.2896666183 -0.4883753044 -1.0777929243 H 5.0831479996 0.1480461149 0.3648930485 H 4.3347281707 1.2565410342 -0.7797216778 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G1/Isoprocarb/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 Isoprocarb/ CONF10 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G1/Isoprocarb/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 Isoprocarb/ CONF10 octanol 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G1/Isoprocarb/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 Isoprocarb/ CONF10 octanol 0 1