%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/water/CONF29/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization metominostrobin_E CONF29 water 0 1 O 0.2124172581 -1.6145924484 0.0053115142 O 0.6076718942 -0.4607626580 2.7080067477 O -0.3917962736 2.4273591630 -0.6652770039 N -1.4228275856 2.7259383853 1.3198888287 N -0.1387261606 0.5502698646 2.2365835203 C 1.3535857837 0.4551793282 0.2998009494 C 1.3101934338 -0.8267090445 -0.2361951843 C 2.4804256803 1.2394281530 0.0690292916 C 0.2269972660 0.9813680299 1.0951571701 C 2.3600757562 -1.3246814413 -0.9907112913 C 3.5394849026 0.7482972709 -0.6773185286 C 3.4782292740 -0.5340355039 -1.2067567979 C -0.7726160196 -1.6813979109 -0.9442741653 C -0.5624773694 2.1135632927 0.5102301456 C -1.7546702582 -2.6444038564 -0.7371368963 C -0.8254027846 -0.8450701530 -2.0522329128 C -2.7913655586 -2.7700576450 -1.6476153943 C -1.8718324733 -0.9874438175 -2.9561887378 C -2.8563871771 -1.9445878734 -2.7639306015 C -2.2911327767 3.7847169424 0.8596410357 C 0.1185356178 -0.9113571325 3.9652756747 H 2.5282230861 2.2386438145 0.4828644383 H 2.3020017259 -2.3246684188 -1.4013347339 H 4.4108750074 1.3662683554 -0.8456280428 H 4.3015395908 -0.9210415365 -1.7921313016 H -1.7030259072 -3.2898077231 0.1306332414 H -0.0713631304 -0.0897689641 -2.2277060558 H -3.5507315286 -3.5231624787 -1.4827858210 H -1.9096232356 -0.3356869554 -3.8192406963 H -1.5198822010 2.3922296053 2.2656964289 H -3.6652450831 -2.0478946087 -3.4744736592 H -3.0341590172 3.4228239170 0.1483233107 H -1.7241208826 4.5867496235 0.3893913523 H -2.8124360855 4.1965468610 1.7181822869 H 0.7915430200 -1.7061412365 4.2778802778 H -0.8927403315 -1.3114646957 3.8801832172 H 0.1356832911 -0.1139935390 4.7096419124 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/water/CONF29/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction metominostrobin_E CONF29 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/water/CONF29/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 metominostrobin_E CONF29 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/water/CONF29/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point metominostrobin_E CONF29 water 0 1