%chk=/home/valentin/Almacen/Insecticides/Phorate/gaussian/water/CONF794/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Phorate/ CONF794 water 0 1 S 0.5838767446 -1.1563852092 0.7398767572 S 2.4242787169 0.1796195883 -1.3070311433 S -2.0319095670 0.2334578158 2.0990939812 P -1.1584113399 -0.0724121972 0.4117415072 O -0.7770345384 1.1936565410 -0.4837443522 O -1.9735072624 -0.8437962018 -0.7275370864 C -0.0975685470 2.3206991050 0.1077102829 C -2.7085543339 -2.0449021680 -0.4039453934 C 1.3386164645 -1.1988750198 -0.9301298330 C 3.7879372994 -0.1877788870 -0.1659196970 C 0.2004740280 3.3118055740 -0.9848950388 C -4.1851782318 -1.7522960011 -0.3349796114 C 4.7933885799 0.9471586244 -0.1772564346 H 0.8252378674 1.9821938968 0.5837701826 H -0.7397800080 2.7602857202 0.8733207316 H -2.3515746937 -2.4747079536 0.5349618778 H -2.4807991962 -2.7566603247 -1.1959451172 H 1.8876112021 -2.1396702231 -0.9753939966 H 0.5605625712 -1.2478052278 -1.6910547119 H 3.3783050707 -0.3176752773 0.8379651566 H 4.2574521888 -1.1269257079 -0.4625067699 H 0.8643007177 2.8870559519 -1.7374631496 H -0.7108051840 3.6583824277 -1.4728517086 H 0.6969839694 4.1796157395 -0.5506022754 H -4.7267947181 -2.6798627885 -0.1488668606 H -4.4161366899 -1.0590284375 0.4731484087 H -4.5517713701 -1.3328740209 -1.2717627412 H 5.2127299698 1.1098587518 -1.1705766585 H 4.3443105946 1.8812723978 0.1607642295 H 5.6187572392 0.7116355549 0.4946397679 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/Phorate/gaussian/water/CONF794/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Phorate/ CONF794 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/Phorate/gaussian/water/CONF794/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 Phorate/ CONF794 water 0 1 --Link1-- %oldchk=/home/valentin/Almacen/Insecticides/Phorate/gaussian/water/CONF794/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Phorate/ CONF794 water 0 1