%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/water/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization metominostrobin_E CONF11 water 0 1 O -0.3147033954 -0.3822089272 -1.1962940321 O -0.6773406769 -0.4540372595 1.6980545470 O 0.7293657061 3.4502256429 -0.1633050534 N -0.7142550902 3.5593644548 1.5701146102 N -0.7832117484 0.8784908373 1.5776585340 C 1.2412782058 0.6978178553 0.2090495054 C 0.9845206710 -0.2260572496 -0.7994286512 C 2.5629735811 0.9501241905 0.5688023717 C 0.1408584827 1.4144440198 0.8830511058 C 2.0225334918 -0.8924621095 -1.4362161481 C 3.6041298035 0.2755770308 -0.0460351201 C 3.3298494803 -0.6435633803 -1.0508248552 C -0.8800201185 -1.6282032132 -1.2653654358 C 0.0750283060 2.9041151741 0.7208194272 C -0.4150675036 -2.7212313998 -0.5439502317 C -2.0007361770 -1.7428907215 -2.0778875873 C -1.0844494405 -3.9329434046 -0.6478077158 C -2.6617009187 -2.9587301946 -2.1649077893 C -2.2068932885 -4.0613917491 -1.4538743754 C -0.9370605196 4.9823134030 1.4755846405 C -1.8191532295 -1.0021002086 2.3418470216 H 2.7721840817 1.6686353501 1.3511994209 H 1.8116698211 -1.5956683027 -2.2318031897 H 4.6253470020 0.4712138986 0.2510703913 H 4.1381350290 -1.1651050437 -1.5457819079 H 0.4506917540 -2.6429608108 0.0999857687 H -2.3530769636 -0.8830223245 -2.6335356820 H -0.7216299606 -4.7819807833 -0.0833451607 H -3.5357122107 -3.0418666900 -2.7974408017 H -1.2490652928 3.0258107125 2.2368947147 H -2.7228476736 -5.0093059824 -1.5249626702 H -1.4949844378 5.3009748605 2.3507757897 H -1.5103518046 5.2486082939 0.5865771309 H 0.0045562218 5.5289572610 1.4561724065 H -1.6160443662 -2.0641536137 2.4569464696 H -2.7180867506 -0.8740398601 1.7371206690 H -1.9739609469 -0.5576799583 3.3262474087 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/water/CONF11/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 CONF11 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/water/CONF11/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 CONF11 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/water/CONF11/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 CONF11 water 0 1