%chk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/water/CONF88/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Tefluthrin-trans/ CONF88 water 0 1 Cl 4.9913350711 -0.7292389659 1.7830966321 F 5.4776143493 -2.5090234252 -0.5884439957 F 6.7231951021 -0.7637099752 -0.6714421386 F 5.1181236430 -1.0032843818 -2.0861026012 F -2.6725298025 -2.2276353376 0.2950669018 F -4.1886646510 2.2149083755 0.4292846093 F -6.2405474038 1.5612200790 -1.1323219747 F -4.7217600955 -2.8801194114 -1.2742084060 O -1.0979797488 0.6427844294 0.5302761577 O 0.1514886637 0.8505107872 2.3699286960 C 2.0725280424 2.3247665901 0.3484007566 C 2.5766147236 0.9398430549 0.6540930938 C 1.1402312202 1.1425866306 0.2052932903 C 2.4767690536 3.0089406368 -0.9353536143 C 1.9479334242 3.2826475108 1.5064802180 C 3.4944688003 0.2405999162 -0.2444491211 C 0.0505798691 0.8711869577 1.1652402854 C 4.5400865488 -0.4875166409 0.1311566669 C -2.2420230256 0.3561599955 1.3467418347 C 5.4621669528 -1.1895500544 -0.8123043655 C -3.3755073550 0.0091198437 0.4340538437 C -3.5467155787 -1.2799790370 -0.0441540703 C -4.3065754561 0.9493643198 0.0261358532 C -5.3716763502 0.6085507378 -0.7858876471 C -4.6105935863 -1.6167093678 -0.8570103445 C -5.5585145373 -0.6840834493 -1.2474987766 C -6.7038002498 -1.0495526543 -2.1387371186 H 2.6990084229 0.7319374656 1.7107504382 H 0.9147091592 0.8647742613 -0.8179624836 H 2.4885084977 2.3397674443 -1.7943078601 H 3.4703093467 3.4487322186 -0.8358471002 H 1.7774615441 3.8154901664 -1.1600868068 H 2.8859364556 3.8269042331 1.6255935654 H 1.7337679518 2.7928739774 2.4529424326 H 1.1630827989 4.0171728986 1.3165524362 H 3.3032119653 0.3226341206 -1.3076169788 H -2.4898197589 1.2204535412 1.9624805162 H -2.0280420561 -0.4745254921 2.0195446304 H -6.4200766483 -0.9517008297 -3.1876413108 H -7.0217239670 -2.0769202189 -1.9771480344 H -7.5638941939 -0.4069778690 -1.9678031453 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/water/CONF88/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Tefluthrin-trans/ CONF88 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/water/CONF88/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 Tefluthrin-trans/ CONF88 water 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/water/CONF88/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Tefluthrin-trans/ CONF88 water 0 1