%chk=/home/apulgar/almacen/pesticidas/H/flumorph_Z/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization flumorph_Z CONF1 water 0 1 F -6.6647474477 0.6532759405 0.1623840282 O 3.3796944502 -1.5919061733 1.9588243857 O 0.7764422123 -2.8044501359 -1.9619835084 O 2.9114303375 1.6434610040 -1.6664210302 O 2.7580548891 3.2688247200 0.3230993401 N 1.3489259316 -2.4538428197 0.1939740468 C 1.0494273802 -2.1301260011 1.5787349666 C 2.7316698893 -2.8577021786 -0.0068185675 C 2.0526884287 -1.1301646558 2.1197770773 C 3.6630240549 -1.8225752962 0.5941976045 C 0.4885113526 -2.3993775867 -0.8327500446 C -1.2444726110 -0.6219768767 -0.3391854801 C -0.8919554000 -1.8886932478 -0.6044793249 C -0.2472557440 0.4569302010 -0.1833553621 C -2.6735976336 -0.2729559152 -0.1822929453 C 0.8304396102 0.5609557416 -1.0715097935 C -0.3306435040 1.3518951335 0.8724568316 C 1.8255946873 1.4992724771 -0.8767142976 C -3.5625481257 -1.1532385908 0.4362941063 C -3.1698993275 0.9384398993 -0.6663531441 C 1.7435580585 2.3890664631 0.2130926601 C 0.6583983954 2.3107579265 1.0704818193 C -4.9094345622 -0.8508104672 0.5531270347 C -4.5145296252 1.2571041252 -0.5603022608 C -5.3622741401 0.3519709174 0.0482573047 C 3.0729743463 0.7384494263 -2.7432603440 C 2.7264933514 4.1932637857 1.3947571289 H 1.0968175376 -3.0501527162 2.1700600688 H 0.0428297311 -1.7330864064 1.6763102720 H 2.9440712118 -2.9601444312 -1.0677424675 H 2.8980792613 -3.8327679900 0.4615361175 H 1.9231545922 -0.1611377627 1.6228713052 H 1.8806348716 -0.9875788770 3.1872886759 H 4.6918918276 -2.1777139010 0.5271181466 H 3.5886354313 -0.8864319648 0.0238550072 H -1.6625634425 -2.6291225627 -0.7922573418 H 0.8709418136 -0.0933633740 -1.9312533618 H -1.1548587807 1.3003093881 1.5717325388 H -3.1996329415 -2.0843336589 0.8513632909 H -2.5042036215 1.6422626869 -1.1486736404 H 0.5707487688 2.9842780064 1.9119188059 H -5.5913204141 -1.5354962950 1.0399094673 H -4.8936919128 2.1930744611 -0.9483798411 H 4.0207940564 0.9866612392 -3.2148029308 H 2.2757760455 0.8393866053 -3.4840291454 H 3.1100181043 -0.3001968370 -2.4025418116 H 1.8513799656 4.8455804187 1.3448800557 H 3.6223798408 4.8022037159 1.3010204127 H 2.7422220495 3.6915125938 2.3653374491 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_Z/gaussian/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 flumorph_Z CONF1 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_Z/gaussian/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 flumorph_Z CONF1 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_Z/gaussian/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 flumorph_Z CONF1 water 0 1