%chk=/home/valentin/Almacen/Insecticides/G3/Etofenprox/gaussian/octanol/CONF18/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Etofenprox/ CONF18 octanol 0 1 O -3.5586526688 1.0157741575 -0.1904909565 O 1.7296368998 -1.4390752596 -2.3006548899 O 1.4609891017 1.5774865927 -0.0648254608 C -3.5285016100 -1.4008853327 -0.0930720149 C -3.6744888520 -0.0850396895 0.6803958610 C -2.1245436378 -1.4681658969 -0.6859741459 C -4.6083123300 -1.5034551194 -1.1743063924 C -3.7734490852 -2.5297549704 0.9125647341 C -1.0573696063 -2.0122247792 0.0216052538 C -1.8270626785 -0.9247866275 -1.9389765966 C -3.3158701117 2.2361356460 0.4613608707 C 0.2404296918 -2.0323499514 -0.4792117562 C -0.5428035893 -0.9252178250 -2.4519055412 C 0.5109440394 -1.4785074641 -1.7254836282 C -1.9158970290 2.3426376114 1.0147153117 C -0.8377728744 1.8833113589 0.2635502732 C -1.6829379307 2.9015647213 2.2651081858 C 0.4511980315 1.9964095026 0.7564746159 C -0.3850504195 3.0205318103 2.7459565907 C 2.8004269306 -2.1474301747 -1.6903709605 C 0.6929049940 2.5743355001 1.9982118412 C 4.0200205254 -1.9951287986 -2.5645038995 C 2.5330929627 0.8947199875 0.4314264637 C 3.7451356999 1.0858353835 -0.2194167730 C 2.4334775961 -0.0017405619 1.4898849752 C 4.8624142070 0.3725350242 0.1893348771 C 3.5624745549 -0.7016992539 1.8927360805 C 4.7786026530 -0.5225041043 1.2473264484 H -4.6512334294 -0.0622961198 1.1865754650 H -2.9060735803 -0.0513209625 1.4643741323 H -4.5199995033 -2.4428359795 -1.7232436016 H -5.5988480720 -1.4823264332 -0.7151463272 H -4.5779533845 -0.6938468572 -1.9020683436 H -4.8098114291 -2.5105273081 1.2542347948 H -3.1454675389 -2.4504295338 1.8010469835 H -3.5933836353 -3.5071858424 0.4623403459 H -1.2144025470 -2.4471700678 0.9998921912 H -2.6068422339 -0.4857474459 -2.5463011290 H -4.0447253101 2.4163652196 1.2628749228 H -3.4720226815 3.0176593436 -0.2873616853 H 1.0197604495 -2.4833028194 0.1200972544 H -0.3492806205 -0.4932331150 -3.4266507447 H -0.9908662735 1.4363454296 -0.7114993800 H -2.5156446214 3.2443182454 2.8675218940 H -0.2089111211 3.4625542744 3.7182390984 H 2.5378579630 -3.2059716849 -1.5823276123 H 3.0009431980 -1.7546902370 -0.6893459162 H 1.7007278064 2.6763650651 2.3803945802 H 4.8621076867 -2.5119960675 -2.1037343950 H 3.8628886246 -2.4278274067 -3.5534071877 H 4.2992916194 -0.9478244341 -2.6854358867 H 3.8088189235 1.7857288903 -1.0434724626 H 1.4890722086 -0.1677106326 1.9923012321 H 5.8038789264 0.5229798494 -0.3233275565 H 3.4819002413 -1.4024742564 2.7139207697 H 5.6521931382 -1.0762680100 1.5650738857 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Etofenprox/gaussian/octanol/CONF18/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 Etofenprox/ CONF18 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Etofenprox/gaussian/octanol/CONF18/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 Etofenprox/ CONF18 octanol 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Etofenprox/gaussian/octanol/CONF18/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point Etofenprox/ CONF18 octanol 0 1