%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Metaflumizone_Z CONF44 octanol 0 1 F 6.2578522182 -3.3493757115 2.0050000927 F 7.3339139622 -2.0409255788 0.6866783581 F 7.3654805451 -4.1631862204 0.3509949771 F -8.3587445923 2.2264667520 0.1736641639 F -7.5809324384 0.4068523291 -0.6697509891 F -6.7327471845 2.2872570086 -1.2420979703 O -6.4244700584 1.5670770798 0.8416213954 O -1.4082363286 -2.6962053277 0.2870398878 N 1.2711381405 -0.5893649510 -0.2703946884 N 0.5746743270 -1.7265373561 -0.1554814344 N -1.2716134092 -0.4083017793 0.1520081876 N -1.6631282712 5.5389422505 0.4835231956 C 3.1784659338 0.7993653432 -0.5394157382 C 2.5234562427 -0.5592815468 -0.4813666435 C 3.3889593101 -1.7428272876 -0.6948006676 C 2.1988013693 1.9118027873 -0.3183197416 C 4.5314500744 -1.9192772752 0.0762914431 C 5.3631139896 -3.0110105090 -0.1419943569 C 3.0936151607 -2.6707268550 -1.6948517233 C 1.8608803309 2.3051145380 0.9743017437 C 1.5589514945 2.5148659174 -1.3966645545 C 5.0613254004 -3.9361964867 -1.1312144439 C 3.9240976380 -3.7576698806 -1.9062846940 C 6.5809388034 -3.1490107874 0.7196422716 C 0.8899977410 3.2642770944 1.1933798650 C 0.5867685023 3.4785917855 -1.1966907732 C 0.2445628814 3.8476262073 0.1030591465 C -2.5878578513 0.0032508055 0.3332056333 C -0.7724146454 -1.6701871669 0.1165403704 C -3.6665649630 -0.8473503114 0.5783620137 C -2.8196920443 1.3804206486 0.2664722386 C -5.1498906244 1.0396954160 0.6431913982 C -4.9418751086 -0.3232225128 0.7330434681 C -4.0902780179 1.9010366507 0.4171396234 C -0.8001200963 4.7938484413 0.3174160697 C -7.2486890363 1.6160390677 -0.2112718643 H 3.9728416319 0.8405708388 0.2119915477 H 3.6761224864 0.9058791896 -1.5074840728 H 4.7652878708 -1.2021529504 0.8534710191 H 2.2229582895 -2.5350830391 -2.3246671621 H 2.3534942685 1.8448888387 1.8218750430 H 1.8145068501 2.2200879111 -2.4068288265 H 5.6977257850 -4.7906148276 -1.3157268059 H 3.6897149189 -4.4694723789 -2.6861302616 H 0.6245097776 3.5545183265 2.2010906617 H 0.0874790489 3.9351312171 -2.0407709157 H 1.0131254467 -2.6413627585 -0.1222859043 H -0.5943943029 0.3287293640 -0.0038385360 H -3.5341386237 -1.9137876271 0.6525465085 H -1.9911196359 2.0555054796 0.0897615313 H -5.7653658833 -0.9940376395 0.9391182166 H -4.2435552687 2.9714915375 0.3705525305 --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_Z CONF44 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_Z CONF44 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_Z CONF44 octanol 0 1