%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/octanol/CONF20/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization metominostrobin_E CONF20 octanol 0 1 O -0.4537710047 -0.3573143049 -0.6724180851 O 1.8124234282 2.8301228663 0.5083843647 O -0.9907640523 -0.2358907253 2.3800598217 N -1.7535940495 1.8681319918 2.0954912386 N 0.6730385054 2.5272401938 1.1561159257 C 1.2849773358 0.1846941407 0.7648294046 C 0.7860493040 -0.6711346768 -0.2187724495 C 2.5608218916 -0.0308145294 1.2685891879 C 0.4281080679 1.2833189080 1.2493579654 C 1.5387107578 -1.7458412019 -0.6701382596 C 3.3253627433 -1.0976049838 0.8198282154 C 2.8077771493 -1.9493245734 -0.1440833925 C -1.0531726768 -1.1147635175 -1.6490483839 C -0.8412530334 0.9046555055 1.9619453313 C -0.7227127839 -0.9148577528 -2.9810852924 C -2.0298629369 -2.0239081742 -1.2772692865 C -1.3885407383 -1.6430962843 -3.9565035397 C -2.6932150724 -2.7417182734 -2.2632421454 C -2.3730348631 -2.5562421631 -3.6011983689 C -2.9938648659 1.6593440376 2.8010290745 C 1.9944377861 4.2369710715 0.4616225802 H 2.9500527566 0.6282343517 2.0341857810 H 1.1549239875 -2.4227614972 -1.4219498161 H 4.3150470077 -1.2636200809 1.2234965239 H 3.3934103206 -2.7880694813 -0.4977963620 H 0.0400578377 -0.1952197970 -3.2518903469 H -2.2736625343 -2.1567896323 -0.2302934263 H -1.1380559815 -1.4913974542 -4.9984601575 H -3.4628193175 -3.4486601754 -1.9818162276 H -1.5430705813 2.7850106789 1.7352904273 H -2.8925524452 -3.1181023364 -4.3663605531 H -3.5739562501 2.5767083382 2.7545724114 H -2.8297500774 1.4115791740 3.8509044242 H -3.5831365767 0.8611577283 2.3484362091 H 2.9149549592 4.4019846696 -0.0947718404 H 2.1011485577 4.6624368545 1.4615236922 H 1.1706729488 4.7311430730 -0.0573035928 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/octanol/CONF20/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction metominostrobin_E CONF20 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/octanol/CONF20/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum metominostrobin_E CONF20 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_E/octanol/CONF20/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point metominostrobin_E CONF20 octanol 0 1