%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Tetramethrin_RS CONF67 octanol 0 1 O 1.1231050702 -1.7014695133 -0.9984508875 O 1.8681409175 -1.5534957087 1.1106114030 O -1.6512832053 -1.4522756327 -2.7842224167 O -1.2007700590 -1.0839976765 1.7255355276 N -1.1645760878 -1.5748098796 -0.5341024938 C 4.1962802627 0.1664774215 -0.0197150679 C 3.0475380665 1.1053741913 0.1021193636 C 2.8696259726 -0.2394959467 -0.6268491678 C 5.2589082974 0.5159589547 -1.0366630996 C 4.7606140397 -0.5289071217 1.1945497676 C 2.3695113489 1.3892642059 1.3884650614 C 1.9451240825 -1.2204302542 -0.0442726768 C 1.1191925492 1.8503127114 1.4802610304 C -0.0276967981 -2.4364628443 -0.6135086802 C 0.4932829041 2.1653797592 2.8030563789 C 0.2630292497 2.0848671661 0.2673483902 C -2.8642303894 -0.1431385935 -1.1502206245 C -2.7224875587 -0.0296378461 0.1705905885 C -3.8622968328 0.5871966623 -1.9690357187 C -3.5233359580 0.8656323313 1.0403350933 C -4.9102444118 1.2191839294 -1.0508682697 C -4.2758642533 1.8766858576 0.1734116475 C -1.8569751188 -1.1100907581 -1.6482626663 C -1.6240569770 -0.9271741745 0.6096320862 H 3.0477469319 1.9359285347 -0.5997621750 H 2.8091382009 -0.1669194578 -1.7064613932 H 6.0114655096 1.1728404531 -0.5957174726 H 5.7696110488 -0.3806754060 -1.3937492542 H 4.8417949464 1.0289596097 -1.9044961558 H 4.0272100536 -0.7455740482 1.9656257079 H 5.2303797681 -1.4726105368 0.9107312538 H 5.5345819931 0.0977848637 1.6428626628 H 2.9377714739 1.2360041800 2.3006344399 H 0.1056945484 -2.9494559121 0.3367291263 H -0.1926973473 -3.1773301998 -1.3917491294 H -0.3804401572 1.5317553557 2.9796061474 H 1.1861258462 2.0213805564 3.6322760353 H 0.1367961532 3.1986625465 2.8344162688 H 0.5776632952 2.9811676400 -0.2748915568 H 0.3094478808 1.2575210512 -0.4437939094 H -0.7826988996 2.2333949951 0.5388789821 H -3.3517172947 1.3528239363 -2.5623103209 H -4.3301552272 -0.0878533655 -2.6897290522 H -4.2217881965 0.2664138035 1.6336938132 H -2.8768053264 1.3729490909 1.7609928773 H -5.4917517171 1.9529976717 -1.6107716413 H -5.6132254607 0.4476075273 -0.7235519605 H -5.0422795558 2.3714340160 0.7716549583 H -3.5822057826 2.6568355773 -0.1539178363 --Link1-- %oldchk=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 Tetramethrin_RS CONF67 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=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 Tetramethrin_RS CONF67 octanol 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point Tetramethrin_RS CONF67 octanol 0 1