%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pyraziflumid/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization pyraziflumid CONF8 water 0 1 F -3.1904281625 2.0043154961 -2.2070446403 F -2.8405460621 3.4216069495 0.0479130547 F 2.1243641864 1.6310315622 -1.8719146143 F 0.6981881277 1.8994137624 -0.2680342581 F 2.4585799564 3.1142234130 -0.3634121607 O 0.6879303071 -0.7392312812 -1.1334336991 N 0.4354775446 -1.8842829197 0.8116742076 N 2.9552280766 -1.1615984038 1.4385624650 N 3.9145732098 1.3148176616 0.7399524342 C -1.8695690434 -2.0830320803 0.0119020345 C -0.6681035843 -2.6702096734 0.4193919726 C -2.0849226371 -0.6208004614 0.0282548438 C -2.9082565630 -2.9212987667 -0.3920767710 C -0.5365915625 -4.0535135518 0.4553424799 C -2.5229799568 0.0231797748 -1.1267775472 C -1.9038745821 0.1222829402 1.1912769359 C -2.7769357889 -4.3003421259 -0.3607115491 C -1.5897661386 -4.8693574974 0.0767669586 C 1.0482177539 -1.0063143983 -0.0034343358 C 2.2790177750 -0.3887057471 0.5977604048 C 2.7546872200 0.8813744641 0.2758933158 C -2.7701766827 1.3772798802 -1.1020148429 C -2.1553144853 1.4860462201 1.2085656051 C -2.5871288325 2.1080824820 0.0575361512 C 1.9962907328 1.8821907746 -0.5681071894 C 4.1076196045 -0.7230159362 1.9083056044 C 4.6051838798 0.5145347435 1.5318603388 H -3.8454525750 -2.4806905234 -0.7077037190 H 0.9295039410 -2.1592498736 1.6495340824 H 0.4029860202 -4.4886106393 0.7715329391 H -2.6643636307 -0.5240623289 -2.0501773651 H -1.5833614895 -0.3621826717 2.1029849818 H -3.6043408314 -4.9273374986 -0.6641393277 H -1.4762725679 -5.9443214785 0.1113918451 H -2.0243124998 2.0638486929 2.1137101710 H 4.6480315861 -1.3622556942 2.5930645929 H 5.5632360816 0.8656537298 1.8896573000 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pyraziflumid/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction pyraziflumid CONF8 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pyraziflumid/water/CONF8/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 pyraziflumid CONF8 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pyraziflumid/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point pyraziflumid CONF8 water 0 1