%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Resmethrin_RS CONF11 water 0 1 O 2.1771523703 2.0096736054 -0.0014649492 O 1.8262557466 0.2815010396 1.3759620402 O -1.9952193976 3.3615858423 -0.7797586816 C 4.2404241567 -1.0264265301 -0.1233321627 C 3.0141626637 -1.4458663236 -0.8542122215 C 3.2421763772 0.0373815656 -0.5451462791 C 4.4350651190 -1.3875004937 1.3284232465 C 5.5380861283 -1.0076416984 -0.8970492969 C 1.9419668236 -2.2400959793 -0.2062206259 C 2.3544540023 0.7432860964 0.3891058358 C 0.6586403305 -2.2457896507 -0.5741889695 C -0.3411964560 -3.1185334209 0.1193943069 C 0.1118797570 -1.3930458918 -1.6772272132 C 1.2813440105 2.8452418154 0.7483998663 C -0.1041540905 2.7622543202 0.2163816649 C -1.0273243929 1.6627499428 0.2644598725 C -0.7501600193 3.7568409601 -0.4322251115 C -2.1563216787 2.0806146665 -0.3551272149 C -3.4742375441 1.4563143527 -0.6534363038 C -3.6189817050 0.0691194791 -0.0900050978 C -3.6744524981 -0.1374018036 1.2872494493 C -3.7369582237 -1.0298470008 -0.9352428343 C -3.8477052060 -1.4127931503 1.8052223234 C -3.9193085119 -2.3074585483 -0.4201914876 C -3.9756144514 -2.5023854122 0.9520871724 H 3.1533601144 -1.6545695208 -1.9116570148 H 3.5479271992 0.6391571835 -1.3927579197 H 5.0610258213 -0.6444550016 1.8258460351 H 3.5127501894 -1.4770668466 1.8951228366 H 4.9526744053 -2.3463097656 1.3952184803 H 6.2351295570 -0.2806752076 -0.4758487045 H 6.0177151153 -1.9875831141 -0.8589036901 H 5.3837496310 -0.7534389244 -1.9464035086 H 2.2430135413 -2.8912935638 0.6094001857 H -0.8841492082 -3.7449329087 -0.5929931955 H -1.0920929285 -2.5115487456 0.6321707943 H 0.1260302282 -3.7709438817 0.8570651412 H -0.1193186363 -2.0022414159 -2.5571879191 H 0.7961879325 -0.6052901372 -1.9914194940 H -0.8294983094 -0.9249122451 -1.3769583027 H 1.6653491696 3.8569693405 0.6277881189 H 1.3238511375 2.5973289656 1.8091496401 H -0.8667948727 0.6934823445 0.7085481946 H -0.4628186230 4.7625996124 -0.6974859048 H -3.6246124596 1.4274979457 -1.7364132066 H -4.2681718227 2.0971470840 -0.2558152878 H -3.5890392791 0.7075966876 1.9603909932 H -3.6956272232 -0.8843974326 -2.0081649608 H -3.8914930087 -1.5558571070 2.8772274080 H -4.0150986964 -3.1492782997 -1.0936910100 H -4.1177069086 -3.4962754256 1.3561496888 --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 CONF11 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 CONF11 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 CONF11 water 0 1