%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Cyflumetofen CONF557 water 0 1 F -3.7357731465 1.4905677766 -0.6505844815 F -4.7600713938 0.8612613067 1.1221059755 F -3.3467081124 -0.4569789519 0.1899717534 O -1.2352469214 -2.3469863426 -1.2161466218 O -1.0406545755 0.6881547213 -1.2692228909 O 0.7678916040 -1.8670668482 -2.0984007634 O -3.3122042309 -1.3857830681 -2.8577067631 N -0.8313550343 -2.2057595930 2.0888114452 C 5.7854703257 0.5795821853 0.5925775394 C 4.3201576520 0.1763485824 0.4886061331 C 6.4630979302 -0.0176117245 1.8239953991 C 6.5257086785 0.0871340744 -0.6572908442 C 5.8891640577 2.1070062643 0.6767907301 C 0.1410264634 -0.9197614711 0.0385390048 C 1.6038259342 -0.5392978071 0.2190560752 C 3.5318792284 0.6799981982 -0.5499591195 C 3.7079415431 -0.6937795564 1.3838687124 C 2.2008577756 0.3345204599 -0.6881344023 C 2.3701715280 -1.0481041437 1.2549792850 C -0.7297065993 0.3559056603 -0.1577635565 C -0.0545018636 -1.7760542562 -1.2326125430 C -1.1284942743 1.1226996526 1.0583966338 C -0.3889028940 -1.6447871545 1.1875803937 C -2.4743478520 1.3954400782 1.3427117393 C -0.1399006759 1.6174548072 1.9013246448 C -2.7990387845 2.1686492815 2.4461996613 C -3.5806935879 0.8278917996 0.4997333609 C -1.6825250633 -3.0468595994 -2.3959689347 C -0.4748714453 2.3992387309 2.9971451833 C -1.8019655885 2.6776476748 3.2668444272 C -2.2274864897 -2.0836352401 -3.4181715959 C -3.7609773629 -0.3364756917 -3.6833736423 H 6.4645286826 -1.1088851321 1.8060368842 H 7.5041232432 0.3069603711 1.8619563399 H 5.9870694260 0.3046814470 2.7519165650 H 6.1116073363 0.5127451061 -1.5723548310 H 6.4785728826 -1.0001237602 -0.7425728746 H 7.5788315976 0.3719497674 -0.6099529309 H 5.4795775928 2.5975690613 -0.2070270778 H 6.9352943590 2.4081074102 0.7610955596 H 5.3599623903 2.4928769905 1.5498937092 H 3.9595873458 1.3591113077 -1.2766652771 H 4.2638039051 -1.1177863533 2.2082722166 H 1.6402822691 0.7598016440 -1.5101652930 H 1.9462158470 -1.7288121895 1.9819455044 H 0.9026994786 1.4208237542 1.6967481459 H -3.8310213165 2.3816231904 2.6864460672 H -2.4554898994 -3.7245501239 -2.0387079773 H -0.8755323896 -3.6403312194 -2.8245995631 H 0.3079314993 2.7872875467 3.6342743618 H -2.0728147899 3.2839242474 4.1201285597 H -1.4446295911 -1.3931629953 -3.7579417600 H -2.5336918278 -2.6692617266 -4.2960158126 H -2.9889906843 0.4263422553 -3.8332391186 H -4.0758131755 -0.6963775211 -4.6688030708 H -4.6194762663 0.1285607009 -3.2011308554 --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 Cyflumetofen CONF557 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 Cyflumetofen CONF557 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 Cyflumetofen CONF557 water 0 1