%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Cyphenothrin_RS CONF51 octanol 0 1 O -1.3296832235 2.9981569432 -1.0125390778 O -1.5804425070 -1.0777946039 0.1071468544 O -3.4904893697 -1.9166690455 -0.6706846209 O 3.2205097212 -0.1814156331 1.4506628061 N -0.4656256515 -2.3513994382 -2.8104349319 C -2.8826116253 1.5895869285 0.2707265970 C -3.1839600677 0.9965427303 1.6030088992 C -3.5404410355 0.2172151730 0.3429328730 C -1.4968186780 1.8057506411 -0.2528809112 C -1.1700037370 1.7472621307 -1.6813448634 C -2.0884707884 0.5583342215 2.5448420753 C -4.3805801497 1.5519707358 2.3415673048 C -2.9002168883 -1.0207783829 -0.1198881230 C 0.2439305601 1.4524635062 -2.1025046112 C -2.2217858881 1.4037930307 -2.7011987798 C -0.9034822828 -2.2764368336 -0.2309780801 C 0.3930635377 -2.3192991585 0.5382284499 C -0.6654033438 -2.3113640906 -1.6798050675 C 1.2251832095 -1.2050177232 0.5642040416 C 0.7246218714 -3.4694034920 1.2378640782 C 2.3919840975 -1.2521413726 1.3128245025 C 1.9023056804 -3.5041447027 1.9728823579 C 2.7377620264 -2.4026985584 2.0147124855 C 3.3397267276 0.7364122513 0.4375898770 C 3.7265941364 0.3484531957 -0.8385861114 C 3.1334464063 2.0721671828 0.7455158460 C 3.9174841980 1.3197283144 -1.8103277453 C 3.3361382988 3.0348494183 -0.2348319982 C 3.7270791518 2.6633820078 -1.5129783221 H -3.5764150564 2.3549167879 -0.0629014663 H -4.5956117283 0.2095778095 0.0962877614 H -0.6842803541 1.6186239290 0.4481282150 H -1.1620497046 0.2550814517 2.0666400436 H -1.8462161024 1.3847999246 3.2158846673 H -2.4268143694 -0.2742007971 3.1640343548 H -4.0905388786 2.4193971089 2.9378821764 H -4.8006083200 0.8073529980 3.0205512036 H -5.1729460591 1.8677532900 1.6618687952 H 0.9535253579 1.6739019247 -1.3052702276 H 0.5177174358 2.0518566350 -2.9737113164 H 0.3584971883 0.4045187246 -2.3801115915 H -2.2164416266 0.3312524186 -2.9025934494 H -2.0167430073 1.9112780827 -3.6462155421 H -3.2265555863 1.6811995213 -2.3851538266 H -1.5051791911 -3.1546959507 0.0198664688 H 0.9578164930 -0.3064103246 0.0217976663 H 0.0683084919 -4.3300667348 1.2171543217 H 2.1690465250 -4.3978477374 2.5211815700 H 3.6526048294 -2.4249858323 2.5933167398 H 3.8898112483 -0.6969138553 -1.0711679487 H 2.8293994142 2.3559966381 1.7453488928 H 4.2246252105 1.0219686391 -2.8045605366 H 3.1812714153 4.0788312371 0.0051981159 H 3.8822723465 3.4158599018 -2.2748897104 --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 Cyphenothrin_RS CONF51 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 Cyphenothrin_RS CONF51 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 Cyphenothrin_RS CONF51 octanol 0 1