%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Etofenprox CONF4 water 0 1 O -3.4812023868 1.1457502095 -0.5455548965 O 1.7860275398 -2.1416143126 -1.1189509410 O 1.5929769905 1.4102071479 -0.2492262443 C -3.7623260055 -1.2264376107 -0.1802213781 C -3.8594373697 0.1825765433 0.4136852119 C -2.2967563729 -1.5156607538 -0.4851300420 C -4.6459782960 -1.3405528213 -1.4247714042 C -4.3203847696 -2.1889141428 0.8730099561 C -1.7356105601 -1.2855581588 -1.7367859491 C -1.4264452809 -1.9508812617 0.5183064485 C -3.1460986153 2.3959248306 0.0108657408 C -0.3808526879 -1.4768654567 -1.9937612828 C -0.0795090305 -2.1550663949 0.2838456752 C 0.4612304463 -1.9166732214 -0.9790078446 C -1.7784553204 2.4048980772 0.6467013669 C -0.6946398869 1.8630389553 -0.0378582281 C -1.5791721591 2.9620687044 1.9038300478 C 0.5731564428 1.9020079798 0.5212405542 C -0.3043158925 3.0014322678 2.4532251304 C 2.4192527570 -1.7762763895 -2.3387033202 C 0.7823824404 2.4793044960 1.7693484882 C 3.8854302790 -2.1093935174 -2.2214985378 C 2.7096645766 0.8686059562 0.3348344852 C 2.6244870881 -0.0461710341 1.3770956092 C 3.9386599103 1.2182634138 -0.2045629533 C 3.7876083317 -0.6144475753 1.8741603137 C 5.0943715801 0.6366923918 0.2988255023 C 5.0250984915 -0.2787846086 1.3393789932 H -4.8891700128 0.3724580821 0.7489721291 H -3.2167163877 0.2379393592 1.3024096470 H -4.3743102682 -0.6490995865 -2.2214944102 H -4.6045032626 -2.3505999361 -1.8374385814 H -5.6854901608 -1.1352715653 -1.1604422004 H -3.8442411230 -2.0735761999 1.8471798262 H -4.1985460631 -3.2269985445 0.5608885259 H -5.3870779713 -2.0086134902 1.0163295167 H -2.3513389364 -0.9481734652 -2.5595650666 H -1.7941987748 -2.1388738872 1.5184299803 H -3.8971486040 2.7228658730 0.7407039170 H -3.1696219530 3.1150978896 -0.8118781278 H -0.0094011873 -1.2756067136 -2.9896376466 H 0.5628620973 -2.5031568735 1.0833986503 H -0.8255916614 1.4211396718 -1.0186231963 H -2.4191159245 3.3692272560 2.4529152243 H -0.1509256980 3.4447231181 3.4284106164 H 2.2783669526 -0.7066865976 -2.5286943044 H 1.9745950914 -2.3220188282 -3.1772137490 H 1.7710044319 2.5292053864 2.2065557099 H 4.3947009348 -1.8203755242 -3.1406929045 H 4.3565801081 -1.5736637944 -1.3966627729 H 4.0417627168 -3.1788822183 -2.0774534015 H 1.6645144890 -0.3204319068 1.7955151666 H 3.9888741431 1.9331657586 -1.0161381901 H 3.7217109696 -1.3303046643 2.6830033985 H 6.0526045412 0.9063295674 -0.1253097360 H 5.9274075159 -0.7291866081 1.7304063967 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Etofenprox CONF4 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Etofenprox CONF4 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Etofenprox CONF4 water 0 1