%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Hydramethylnon CONF6 water 0 1 F -4.9305732228 -6.0022367037 -0.2316017523 F -5.8836448306 -4.9944816229 1.4064661589 F -6.6080742940 -4.7132273579 -0.5993588595 F 8.4759567480 -0.7559384417 -0.7175620643 F 8.2072845944 -1.3131306540 1.3387138005 F 8.0456364178 -2.8005353842 -0.2047464752 N -0.9023236014 4.8250059715 -0.4207796514 N -3.1474695327 4.2483556169 0.0027431520 N -1.5451184137 2.6352963767 -0.0240798258 N -0.2800760102 2.2710304829 -0.1031006851 C -2.4078794524 6.6467323326 0.1622159011 C -1.1775509123 6.2263757929 -0.6375058502 C -3.5151695961 5.6381591445 -0.1563163833 C -2.8416814438 8.0399283364 -0.2737469736 C -2.0951301293 6.6540345018 1.6577699355 C -1.9064378476 3.9677994670 -0.1472654677 C 0.0876637474 1.0407976048 0.0288213437 C -0.8021996775 -0.1076005297 0.2732750927 C 1.5221885634 0.8223994977 -0.0275902021 C -1.8599856221 -0.4197349058 -0.4839793630 C 2.1118328310 -0.3831653515 -0.0193627323 C -2.7594285548 -1.5589974904 -0.2938019842 C 3.5492451963 -0.6339954648 -0.0365439895 C -3.8166149223 -1.7241479859 -1.1891020102 C 3.9971541060 -1.9556551178 -0.0910998689 C -2.6182872109 -2.4916176034 0.7394502796 C 4.5123083758 0.3816276759 0.0187941404 C -4.5614053935 -3.6861222835 -0.0279563755 C 6.2858212602 -1.2436703379 -0.0042554011 C -4.7116356513 -2.7748360128 -1.0632946800 C 5.3476803887 -2.2637280799 -0.0751664895 C -3.5057227099 -3.5413183910 0.8710204682 C 5.8592101230 0.0823498986 0.0368482291 C -5.4974267084 -4.8417323610 0.1322886626 C 7.7465062852 -1.5342952608 0.0955160269 H -1.3427432514 6.4309411003 -1.7015836142 H -0.3039552634 6.8053748022 -0.3339909397 H -3.8627470690 5.8143563500 -1.1823753411 H -4.3796957470 5.8464158668 0.4802302940 H -3.7326486971 8.3593263135 0.2706085364 H -3.0754978190 8.0723000208 -1.3400158022 H -2.0583501259 8.7766210066 -0.0827983027 H -1.3055054866 7.3733281182 1.8852247827 H -1.7684496786 5.6817052603 2.0280142870 H -2.9777334561 6.9415244586 2.2327219271 H 0.0339607927 4.4689330266 -0.5090226625 H -2.2842649165 1.9784681512 0.1999972695 H -0.5218568415 -0.7372425198 1.1125599106 H 2.1151599818 1.7289809492 -0.0831877552 H -2.0932365231 0.1991022946 -1.3457374491 H 1.4943456648 -1.2755616770 0.0046849236 H -3.9459467037 -1.0162530233 -1.9981980025 H 3.2738852581 -2.7601510144 -0.1407833470 H -1.8119177452 -2.4047306218 1.4556814629 H 4.2149835509 1.4209296418 0.0601612133 H -5.5185719221 -2.8652244847 -1.7774466025 H 5.6493553863 -3.3015633114 -0.1112874276 H -3.3687763052 -4.2442454104 1.6827079759 H 6.5763563269 0.8916460808 0.0904638277 --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 Hydramethylnon CONF6 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 Hydramethylnon CONF6 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 Hydramethylnon CONF6 water 0 1