%chk=/home/apulgar/almacen/pesticidas/unknown_herbicides/dymron/gaussian/water/CONF7/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dymron CONF7 water 0 1 O 0.9765332791 -0.6443778238 2.0345271416 N 0.4452060333 -0.7060775008 -0.1682131369 N -1.1899314048 -0.4496152567 1.4644430338 C 1.8127971683 -0.7893408600 -0.6775337800 C 2.6439420396 0.3708962164 -0.1363088021 C 1.7119564971 -0.6317496467 -2.1977568513 C 2.4161364096 -2.1609397978 -0.3730464509 C 3.9467632035 0.2014782894 0.3193537395 C 2.1108851049 1.6604218698 -0.1418334878 C 0.1346575495 -0.6068654142 1.1368155758 C 4.6967521908 1.2864507477 0.7605874799 C 2.8544636001 2.7436595563 0.2998774099 C 4.1550430083 2.5617842937 0.7550700307 C -2.3127511487 -0.4024900900 0.6239931621 C -2.3745697600 0.4220357359 -0.4958460914 C -3.4354030774 -1.1587013431 0.9602998282 C -4.6422146835 -0.3090025748 -0.9602408408 C -3.5196429242 0.4459892151 -1.2815870161 C -4.5803089956 -1.1011658441 0.1858794566 C -5.8864206825 -0.2628094452 -1.7957196619 H 1.1123861730 -1.4351469382 -2.6313107888 H 1.2568977277 0.3205509440 -2.4728390454 H 2.7035974579 -0.6745845540 -2.6461826021 H 1.7493498297 -2.9385869710 -0.7459083559 H 2.5674553333 -2.3262218020 0.6924220517 H 3.3754525968 -2.2906712013 -0.8740227194 H -0.2938976824 -0.7613201928 -0.8516611632 H 4.3977722906 -0.7812736171 0.3422836806 H 1.0976195737 1.8248495297 -0.4897810326 H 5.7067290844 1.1263416104 1.1157769657 H 2.4163538342 3.7334993245 0.2900298907 H 4.7350930418 3.4052118325 1.1063453929 H -1.5452854786 1.0690908458 -0.7535680408 H -3.4075488540 -1.7958545855 1.8360753014 H -3.5388016539 1.0860997108 -2.1554591423 H -5.4385725043 -1.6978212633 0.4719407074 H -5.7219780775 0.2783891195 -2.7266203344 H -6.7013469473 0.2336900514 -1.2657522094 H -6.2359873804 -1.2646085610 -2.0482001925 H -1.3797677445 -0.6414064904 2.4376549698 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/dymron/gaussian/water/CONF7/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dymron CONF7 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/dymron/gaussian/water/CONF7/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 dymron CONF7 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/dymron/gaussian/water/CONF7/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dymron CONF7 water 0 1