%chk=/home/apulgar/almacen/pesticidas/G1_new/Phosphamidon_E/gaussian/water/CONF125/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Phosphamidon_E CONF125 water 0 1 Cl -2.1529082465 -2.1723182255 1.1390652157 P 2.2109679819 -0.3323777239 -0.8724393845 O 0.6035223666 -0.3855274732 -1.0041619622 O -0.4167169260 0.6677872541 1.8691952478 O 2.5177086351 1.1869942181 -1.1718549079 O 2.3774485688 -0.6005398708 0.6830566848 O 2.9767194752 -1.2189654259 -1.7695399080 N -2.0486417439 1.1609614921 0.3799659512 C -2.1638734648 2.5330879216 0.8626973216 C -2.9449384285 0.7740253902 -0.7037104939 C -1.1530222105 0.3471455466 0.9394343576 C -3.1047546418 2.6588555273 2.0474792986 C -2.4531317811 1.2004633463 -2.0733305262 C -1.0696178862 -1.0511559451 0.3990568491 C -0.1631396844 -1.4213306280 -0.4982761417 C 0.0883783331 -2.7748812043 -1.0507618132 C 1.8806878033 2.2770341075 -0.4833915801 C 3.6687296819 -0.9116143009 1.2306710000 H -1.1736575217 2.9132761679 1.1117657147 H -2.5260524998 3.1395600394 0.0328157769 H -3.1116329498 -0.3009890029 -0.6831183433 H -3.9150739876 1.2285956134 -0.4954408532 H -3.2004345974 3.7055955848 2.3365652932 H -4.1012973196 2.2899004637 1.8012339836 H -2.7393208659 2.1040885982 2.9113483362 H -1.5181561025 0.7066137434 -2.3346013014 H -3.1943942253 0.9355796253 -2.8270513193 H -2.2972725439 2.2783493842 -2.1282120159 H 0.1836329787 -2.7288327284 -2.1356178704 H 1.0118750624 -3.2002050004 -0.6521134098 H -0.7195488069 -3.4597851975 -0.8085509516 H 1.7857341706 2.0837416620 0.5837978003 H 0.9013420106 2.4735829586 -0.9154586084 H 2.5157819045 3.1464609798 -0.6279159271 H 4.0575578611 -1.8367766226 0.8093705155 H 3.5287518789 -1.0345699133 2.2999076266 H 4.3764434300 -0.1025125361 1.0543455808 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new/Phosphamidon_E/gaussian/water/CONF125/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Phosphamidon_E CONF125 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new/Phosphamidon_E/gaussian/water/CONF125/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 Phosphamidon_E CONF125 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new/Phosphamidon_E/gaussian/water/CONF125/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Phosphamidon_E CONF125 water 0 1