%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Prallethrin_RS CONF1 water 0 1 O -0.6327205125 -0.0656518280 1.0378606916 O -1.8191502893 -1.6227662501 2.0993169791 O 3.2445891762 -2.0204632851 0.0091212017 C -3.2156328300 0.9996000841 -0.1305884805 C -2.6928534837 -0.0099678897 -1.0921934474 C -2.8703229831 -0.3881712722 0.3839738152 C -2.4035337818 2.2176926239 0.2384777818 C -4.6990078127 1.2875160412 -0.1695091068 C -1.3653463744 0.1235911138 -1.7450385472 C -1.7464153951 -0.7488635540 1.2594037286 C -0.6261765312 -0.8886946227 -2.2052208819 C 0.5505688389 -0.4302757780 1.7562062109 C 0.6831743159 -0.6454317700 -2.8913566590 C -1.0195313466 -2.3262769873 -2.0659991872 C 1.1777729341 -1.7249795635 1.2506495296 C 1.5516230290 0.6448317420 1.4274599992 C 2.6126248348 0.1526764625 0.7732190873 C 2.4617963815 -1.2908535141 0.5851876884 C 1.3199720419 2.0632083331 1.7995729067 C 3.7861262053 0.9274402309 0.2571077403 C 3.4537825294 1.6376745000 -0.9726990281 C 3.1464961027 2.2143910736 -1.9824545243 H -3.4481035477 -0.4881427499 -1.7106103854 H -3.7295942062 -1.0164067550 0.5871215885 H -2.6071340077 2.5192735030 1.2673953301 H -1.3297853834 2.0935933991 0.1332757563 H -2.6957552290 3.0483289303 -0.4067690832 H -5.0542247005 1.6413030499 0.8000370475 H -4.9176384812 2.0623475553 -0.9065851765 H -5.2786818656 0.4028234492 -0.4353375837 H -0.9893242527 1.1332295150 -1.8831826254 H 0.3419582044 -0.4515890348 2.8288470111 H 0.5476113611 -2.2664240278 0.5430260011 H 1.4053490965 -2.4122562002 2.0673184687 H 0.9092593007 0.4171680532 -2.9797067946 H 1.5042393118 -1.1213915507 -2.3481232127 H 0.6877135957 -1.0773756516 -3.8954628522 H -1.9322322435 -2.4682039375 -1.4898520092 H -1.1678601165 -2.7841399658 -3.0475350623 H -0.2235757057 -2.8972916874 -1.5807875362 H 0.3408098427 2.2176684940 2.2482800329 H 1.4072638961 2.7180635797 0.9311926896 H 2.0736816587 2.3911424295 2.5192124504 H 4.1212249892 1.6465511918 1.0088610020 H 4.6283455756 0.2569976547 0.0729132000 H 2.8752013489 2.7320010271 -2.8749724245 --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 Prallethrin_RS CONF1 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 Prallethrin_RS CONF1 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 Prallethrin_RS CONF1 water 0 1