%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Resmethrin_RS CONF10 water 0 1 O 2.1812142991 2.0120849063 0.0328065890 O 1.8602373040 0.2783555240 1.4108689923 O -1.9841943857 3.3291988964 -0.7899129069 C 4.2453867196 -1.0348609576 -0.1166666897 C 3.0139738925 -1.4247801597 -0.8545557062 C 3.2635106913 0.0507965189 -0.5204991896 C 4.4382484054 -1.4235056778 1.3278702504 C 5.5414131676 -1.0227280509 -0.8925601722 C 1.9224526761 -2.2050923233 -0.2235405197 C 2.3764537196 0.7475640278 0.4212928395 C 0.6452046281 -2.1815601645 -0.6115829664 C -0.3863632323 -3.0326244842 0.0605829153 C 0.1393878431 -1.3131549518 -1.7225410622 C 1.2744996107 2.8339414646 0.7856259224 C -0.1038906328 2.7462495030 0.2362130024 C -1.0161834463 1.6372025572 0.2652072404 C -0.7492697073 3.7363823094 -0.4194718437 C -2.1387123581 2.0446840458 -0.3727330637 C -3.4413297263 1.4049637696 -0.7034661681 C -3.6068500200 0.0331477677 -0.1078674724 C -3.6613767021 -0.1425710277 1.2739350002 C -3.7516653553 -1.0816226203 -0.9279874612 C -3.8583545524 -1.4025132320 1.8201067625 C -3.9594761555 -2.3435462383 -0.3845049421 C -4.0128553802 -2.5077015508 0.9916971278 H 3.1520507729 -1.6171707017 -1.9151781367 H 3.5766038984 0.6621835378 -1.3582337080 H 3.5164448954 -1.5118173575 1.8947066510 H 4.9439099921 -2.3896715121 1.3765130061 H 5.0746115087 -0.6973512175 1.8363394469 H 6.0047137770 -2.0109893287 -0.8744734553 H 5.3890681565 -0.7458294829 -1.9363087361 H 6.2506178918 -0.3153770637 -0.4590819829 H 2.1987718455 -2.8648592518 0.5935580531 H 0.0514199390 -3.6957815466 0.8064847783 H -0.9293920057 -3.6459124095 -0.6628849881 H -1.1333330255 -2.4090751033 0.5588595395 H 0.8257295313 -0.5091019334 -1.9840692808 H -0.8212478020 -0.8653983997 -1.4601723378 H -0.0360567426 -1.9054314160 -2.6247687316 H 1.6535613149 3.8499703345 0.6835753401 H 1.3070907454 2.5707723870 1.8428168938 H -0.8526173005 0.6687481542 0.7098779707 H -0.4681641581 4.7456582860 -0.6774874107 H -3.5493394324 1.3452531381 -1.7901457071 H -4.2527761743 2.0530038673 -0.3561346023 H -3.5556632254 0.7141876229 1.9289276754 H -3.7108527301 -0.9610233896 -2.0039900067 H -3.8996404984 -1.5211331229 2.8952006709 H -4.0750267416 -3.1976867385 -1.0391037650 H -4.1734591458 -3.4893645505 1.4180895141 --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 Resmethrin_RS CONF10 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 Resmethrin_RS CONF10 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 Resmethrin_RS CONF10 water 0 1