%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization benzovindiflupyr CONF6 water 0 1 Cl -2.9067267634 -2.7653526904 1.1088868433 Cl -5.3235804026 -1.1792365041 0.9439323854 F 3.3426197395 1.2434203952 2.2788302771 F 3.9585545507 2.3285597793 0.4961329558 O 1.2460267993 -0.1512726691 -1.8167557936 N 1.1156532517 0.8003882762 0.2312000877 N 4.7963999265 -1.7951660479 -0.4266134609 N 5.1527273731 -0.8169984850 0.3931099784 C -1.6324232336 -0.4617572699 -0.8115588964 C -3.5326606283 0.7894858858 -0.9370518178 C -1.9386933848 -0.4058993418 -2.3333307120 C -3.2337271339 0.4411220985 -2.4173308843 C -3.0478704718 -0.4820528095 -0.2838321272 C -1.2621723270 0.9394714672 -0.3863188932 C -2.4304693464 1.7079497071 -0.4687660396 C -0.0842534207 1.5184113561 0.0494560758 C -2.4475660462 3.0452912840 -0.1363742349 C -3.6714307649 -1.3528101857 0.4820177507 C -0.0994204786 2.8718668650 0.4027928738 C -1.2595475527 3.6220421589 0.3120921525 C 1.7390634556 0.0759185752 -0.7217233975 C 3.0658988760 -0.4626084327 -0.3722407657 C 4.1199712190 -0.0008527231 0.4470761615 C 3.5660787041 -1.6239861883 -0.9209136131 C 4.2510836314 1.2361206726 1.2525492180 C 5.6910919934 -2.8974099235 -0.7074062309 H -0.9669025834 -1.2614791171 -0.5019017734 H -4.5473048221 1.1187984884 -0.7305829910 H -2.1034174958 -1.4141351468 -2.7138313022 H -1.1085372039 0.0267511424 -2.8854311736 H -3.1175116328 1.3404630984 -3.0212523289 H -4.0576271080 -0.1354525560 -2.8377587327 H -3.3570322952 3.6288671949 -0.1984390101 H 0.8146676949 3.3337440688 0.7564755630 H -1.2395202871 4.6651159823 0.5983740282 H 1.5907173268 0.9572252536 1.1057955685 H 3.1197993509 -2.3278023697 -1.6048522431 H 5.2470475639 1.3472886606 1.6787331863 H 5.8821019208 -2.9631262865 -1.7755174029 H 5.2588875683 -3.8333725626 -0.3619379021 H 6.6277383998 -2.7249740845 -0.1886917724 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction benzovindiflupyr CONF6 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF6/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 benzovindiflupyr CONF6 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/benzovindiflupyr/water/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point benzovindiflupyr CONF6 water 0 1