%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenamidone/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenamidone CONF1 water 0 1 S -0.8933948184 -2.9843435362 -0.7423125150 O 0.0146497181 0.9594887883 2.0873139560 N -0.6223454953 -0.8547294974 0.8338443282 N 1.3327077047 -1.7194944699 0.1557026920 N -1.9787314513 -0.7484583978 0.8692923206 C 1.6402487350 -0.5520373413 0.9774061880 C 0.2823728413 -0.0000540771 1.4045500362 C 2.3578657956 0.5195208955 0.1723692465 C 2.4232646222 -0.9917500218 2.2135954174 C 0.0666037770 -1.8184625757 0.1050478559 C 2.4319818709 0.4462710085 -1.2156069652 C 2.9153543077 1.6238609640 0.8161133625 C -2.5564628287 0.3443255830 0.2057849371 C 3.0634606435 1.4471120106 -1.9428889877 C 3.5429814526 2.6234687769 0.0879428834 C 3.6222102548 2.5384570429 -1.2956319297 C -1.9410319352 0.9482665900 -0.8876277175 C -3.8068649066 0.7914921749 0.6283513952 C 0.4135913743 -3.8965189893 -1.5871152350 C -2.5766663228 1.9963433213 -1.5388818339 C -4.4322313723 1.8337021568 -0.0360466338 C -3.8213027999 2.4467350100 -1.1225203441 H 3.3873511885 -1.4009971041 1.9155061615 H 1.8745348712 -1.7609404105 2.7572489683 H 2.5973224081 -0.1616547398 2.8955434844 H 2.0016472974 -0.3963060016 -1.7389414987 H 2.8684603407 1.7165152137 1.8929869735 H -2.3547932706 -0.9316153702 1.7915132578 H 3.1169507413 1.3685625320 -3.0209381159 H 3.9704311365 3.4722092935 0.6056210958 H 4.1150973463 3.3169921347 -1.8630328488 H -0.9727515597 0.6157561513 -1.2415553067 H -4.2855480556 0.3253009857 1.4814683627 H 1.0692369552 -4.3985872339 -0.8806811787 H 0.9898921307 -3.2433789004 -2.2375230248 H -0.0889884883 -4.6460862144 -2.1951186463 H -2.0871720409 2.4617272581 -2.3844693227 H -5.4015815179 2.1723127769 0.3059746300 H -4.3084067097 3.2646962292 -1.6358021693 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenamidone/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction fenamidone CONF1 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenamidone/water/CONF1/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 fenamidone CONF1 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenamidone/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fenamidone CONF1 water 0 1