%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Metaflumizone_E CONF60 octanol 0 1 F -0.7086753386 -5.7984749061 -1.0299726120 F -0.6944926711 -6.1671957695 1.0899799739 F 0.4922324792 -4.5755816609 0.2637935923 F 6.4252655251 1.2749884666 2.0569099582 F 6.3649419350 3.1999438963 1.1164760625 F 8.1190774824 1.9656403349 0.9202084130 O 6.3604384004 1.3805425248 -0.1667698205 O 0.1715510222 2.4288276622 -2.1482102307 N -1.5415559368 -0.3001188302 -0.8944975438 N -1.3084140196 0.8737686809 -1.4844501227 N 0.8963912731 0.6485471669 -0.8933668969 N -5.7052420362 5.7614717506 1.7442683419 C -3.9406358501 -0.0974401600 -1.3854250118 C -2.7201145606 -0.7858217831 -0.8322184103 C -2.8308966969 -2.1159197826 -0.2023388240 C -4.3021889142 1.1902032843 -0.6855256141 C -1.7609598151 -3.0059400466 -0.2749189926 C -1.8383808664 -4.2513569179 0.3287355818 C -3.9812744362 -2.5053704730 0.4826117326 C -4.7397152545 2.2833761390 -1.4299231393 C -4.2305700377 1.3041694221 0.7015158818 C -2.9853768883 -4.6310415138 1.0161805909 C -4.0512740193 -3.7489718868 1.0903838573 C -0.6893161514 -5.1981315776 0.1701412862 C -5.1051906139 3.4652969031 -0.8121307651 C -4.5925366592 2.4794436723 1.3341627443 C -5.0323109251 3.5638787905 0.5759870108 C 2.2580941569 0.9014352791 -0.7499218656 C -0.0331639414 1.3894313663 -1.5462344482 C 3.0188486261 -0.1045365272 -0.1474036318 C 2.8941621556 2.0774160733 -1.1505348450 C 4.9838035283 1.2339660867 -0.3294157110 C 4.3744677813 0.0568403733 0.0668617091 C 4.2555270475 2.2367089729 -0.9385629008 C -5.4068470784 4.7791764700 1.2215330610 C 6.7961537084 1.9459513280 0.9630990711 H -3.7828931569 0.1009524780 -2.4511265781 H -4.7954126603 -0.7745550085 -1.3505397359 H -0.8756440379 -2.7171264314 -0.8263811612 H -4.8274761183 -1.8350672771 0.5646314807 H -4.7923291954 2.2116529168 -2.5093894981 H -3.8869814941 0.4710895006 1.3024548689 H -3.0621861925 -5.6008684145 1.4886391811 H -4.9453395899 -4.0337244723 1.6284652210 H -5.4415460600 4.3075277003 -1.4018714384 H -4.5337096859 2.5582977981 2.4114871434 H -2.0201767244 1.3880669285 -1.9917047278 H 0.5564474455 -0.2082363842 -0.4747712307 H 2.5430464517 -1.0282638158 0.1597723140 H 2.3477193063 2.8771013257 -1.6219246422 H 4.9479908197 -0.7385681606 0.5244688053 H 4.7397888355 3.1473296302 -1.2664490141 --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 Metaflumizone_E CONF60 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 Metaflumizone_E CONF60 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 Metaflumizone_E CONF60 octanol 0 1