%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Metaflumizone_E CONF99 octanol 0 1 F -3.8598744636 -6.2806444509 1.3475150562 F -5.1381775215 -4.9700569149 0.2210367934 F -4.3559919173 -4.3338768806 2.1166834350 F 6.8795833846 1.9191900512 1.8448277003 F 6.6016597755 3.8918568316 1.0592632292 F 8.4881496624 2.8892921465 0.7880518403 O 6.8105023618 2.1928230690 -0.3632168825 O 0.4587504343 2.6537704170 -2.0636973142 N -0.8106883903 -0.4610177910 -1.2505108439 N -0.7555758054 0.8082226057 -1.6614074283 N 1.4800567052 0.8130131194 -1.1480792854 N -5.1142499802 4.6980557030 2.5752348358 C -3.2423580148 -0.4512828888 -1.5734048874 C -1.9247683798 -1.0834073729 -1.2049959496 C -1.8598889713 -2.4914080465 -0.7663102677 C -3.6474351935 0.6789053284 -0.6576648002 C -2.9401249037 -3.0947940496 -0.1305138898 C -2.8571726277 -4.4131238741 0.3077855006 C -0.6969166154 -3.2416418652 -0.9650107240 C -4.2345985645 1.8275741367 -1.1828069701 C -3.4527532619 0.5895716608 0.7192199050 C -1.6995764707 -5.1486449266 0.1079567324 C -0.6217403362 -4.5516491821 -0.5335016891 C -4.0465606719 -5.0055508872 0.9982536202 C -4.6214099969 2.8695823991 -0.3589247929 C -3.8327041339 1.6225141923 1.5554037473 C -4.4182284381 2.7672218424 1.0156482315 C 2.7952032079 1.2359660405 -0.9759358715 C 0.4290047877 1.5077371088 -1.6498311276 C 3.6865364576 0.2943481013 -0.4531527246 C 3.2712124175 2.5109755880 -1.2861579248 C 5.4632364839 1.8836301990 -0.5371926093 C 5.0129416936 0.6112663513 -0.2318650713 C 4.6035175380 2.8275406542 -1.0635665099 C -4.8051112721 3.8341069770 1.8789194855 C 7.1761220902 2.7131726661 0.8145497397 H -3.1889618571 -0.0852393328 -2.6041855165 H -4.0309905625 -1.2046658925 -1.5867806308 H -3.8485786043 -2.5301851945 0.0433977912 H 0.1474264923 -2.7979954484 -1.4758375126 H -4.3853765559 1.9134264626 -2.2520432114 H -2.9954927715 -0.2917745129 1.1520154348 H -1.6199477943 -6.1762303128 0.4349148378 H 0.2814134956 -5.1227937394 -0.7028945762 H -5.0702584063 3.7595829033 -0.7795529000 H -3.6737421885 1.5460237173 2.6227849587 H -1.5564505914 1.3035997599 -2.0369034280 H 1.2790982814 -0.1353315483 -0.8572403632 H 3.3362870770 -0.7028525660 -0.2134404762 H 2.6227954436 3.2670676997 -1.6963317097 H 5.6879980055 -0.1374005791 0.1623437671 H 4.9621123057 3.8161885616 -1.3202787908 --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 CONF99 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 CONF99 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 CONF99 octanol 0 1