%chk=/home/apulgar/almacen/pesticidas/G4/Flupyradifurone/gaussian/water/CONF44/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Flupyradifurone CONF44 water 0 1 Cl 4.5924334099 -2.3129635810 1.4620149303 F -2.6376878159 3.1744336075 -0.9964998613 F -1.1100491042 4.5138143022 -0.1847848150 O -3.6780327140 -0.8736846146 0.7982520474 O -3.5966819893 -2.9208770384 -0.0799052137 N -0.8706167664 0.9219121943 -0.5419095831 N 2.3029308755 -1.0875671847 1.3130923260 C 0.2203177551 0.5223696565 -1.4032002278 C -1.8083425914 0.0267366798 -0.2126535688 C -0.7688996986 2.2207883907 0.0887713640 C -2.9229828020 0.3226920418 0.7476439884 C 1.3257695522 -0.2110678674 -0.6890703357 C -1.9429646170 -1.2599438232 -0.6312967964 C -1.2953234916 3.3175533353 -0.8065859161 C -3.1035261751 -1.8152856062 -0.0017263938 C 2.4256480562 -0.6650112579 -1.4123303540 C 1.3210772231 -0.4520198940 0.6746257133 C 3.4519697523 -1.3220397896 -0.7648194331 C 3.3222404122 -1.4996686426 0.6044551253 H 0.6309219702 1.4161100207 -1.8760891827 H -0.1668343651 -0.0903380880 -2.2196893114 H -1.2950294972 2.2402616624 1.0441962783 H 0.2807196668 2.4275788712 0.3072298450 H -2.5495439502 0.5601301079 1.7470318193 H -3.5569484459 1.1445723120 0.4113450012 H -1.3141858675 -1.8155649427 -1.3079588595 H -0.8163901176 3.3538822703 -1.7861868559 H 2.4812708996 -0.5032605232 -2.4819533435 H 0.4994072918 -0.1278742556 1.3014923184 H 4.3173584887 -1.6811667685 -1.3025600669 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Flupyradifurone/gaussian/water/CONF44/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Flupyradifurone CONF44 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Flupyradifurone/gaussian/water/CONF44/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 Flupyradifurone CONF44 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Flupyradifurone/gaussian/water/CONF44/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Flupyradifurone CONF44 water 0 1