%chk=/home/apulgar/almacen/pesticidas/G1/Thiometon/gaussian/water/CONF43/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Thiometon CONF43 water 0 1 S -0.8360014486 1.4668774874 -1.0282094111 S 3.4012411098 0.6528630641 0.0200990097 S -0.8550579810 -1.8058188337 -0.0714084709 P -1.6351176479 -0.0559879939 0.1381383076 O -1.5889475030 0.5615309913 1.6145959315 O -3.2002341461 0.0770473393 -0.1890400935 C 0.9168475661 0.9575008740 -1.1387517408 C 1.6755052238 1.1900220156 0.1526136998 C 3.2064478961 -1.1337753886 0.3008150865 C 4.5544291056 -1.8177511884 0.1775231425 C -1.9428308129 -0.2468366145 2.7460872588 C -3.7500234371 -0.4908167238 -1.3808060213 H 1.3278019278 1.5658580954 -1.9443156996 H 0.9455308020 -0.0843135680 -1.4565462432 H 1.2147727560 0.6675135524 0.9923396728 H 1.6874903424 2.2516941700 0.4001038264 H 2.7862059115 -1.2886590810 1.2955762773 H 2.5034089237 -1.5447896619 -0.4243741129 H 5.2738133930 -1.4230176822 0.8952844482 H 4.4475906569 -2.8854298960 0.3698949678 H 4.9734328783 -1.7009079162 -0.8218537206 H -1.7806733952 0.3672631538 3.6269860082 H -1.3139433042 -1.1342275467 2.8061580683 H -2.9896090144 -0.5460880966 2.7054379892 H -4.8227557629 -0.3280065234 -1.3385832958 H -3.5509240682 -1.5603294149 -1.4365825715 H -3.3497088331 -0.0031351614 -2.2697702721 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Thiometon/gaussian/water/CONF43/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Thiometon CONF43 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Thiometon/gaussian/water/CONF43/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 Thiometon CONF43 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Thiometon/gaussian/water/CONF43/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Thiometon CONF43 water 0 1