%chk=/home/apulgar/almacen/pesticidas/G1_new/Phosphamidon_Z/gaussian/water/CONF138/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Phosphamidon_Z CONF138 water 0 1 Cl -0.5577921715 0.8900501208 2.1067700095 P 2.6577852153 -0.5795060733 -0.2485851024 O 1.3777639682 -0.7308092529 0.7184187519 O -2.9180382779 -1.4132776204 1.1839124357 O 2.1148755380 0.5050022152 -1.2754944711 O 3.7100884393 0.0995536196 0.7149548755 O 3.1967492153 -1.8213990740 -0.8332994523 N -2.9249452947 0.3191060022 -0.2747672425 C -4.3396006148 0.1434246302 -0.5852457885 C -2.2414747372 1.4191417924 -0.9475055045 C -2.3383222522 -0.5017083403 0.5993628997 C -5.2529465836 0.8606200190 0.3914590417 C -1.7204044889 1.0535451869 -2.3229314510 C -0.8802195592 -0.2683192289 0.8642629163 C 0.0954038841 -0.9606132450 0.2857606940 C -0.1068742026 -2.0202231863 -0.7393596227 C 2.8655173504 0.7877598268 -2.4690629524 C 3.4767378714 1.3547335145 1.3731480725 H -4.4981361426 0.5243785589 -1.5940866110 H -4.5732980174 -0.9198754482 -0.6187884131 H -2.9566205319 2.2395492232 -1.0226269746 H -1.4302279439 1.7928516347 -0.3265584877 H -6.2924190765 0.7269515642 0.0917266138 H -5.1438430934 0.4699009274 1.4029071088 H -5.0475656764 1.9312909794 0.4138950127 H -0.9364062821 0.2983221403 -2.2638521783 H -2.5145185912 0.6730689430 -2.9663040583 H -1.2998307264 1.9371469951 -2.8028613603 H 0.3370887571 -1.7472783779 -1.6977873348 H 0.3540977152 -2.9522382699 -0.4091336239 H -1.1616452144 -2.2134087449 -0.9159831854 H 2.9249826780 -0.0922138441 -3.1066202481 H 3.8698926413 1.1357654500 -2.2296963195 H 2.3308971072 1.5749088755 -2.9910605117 H 4.3912529294 1.5966522416 1.9070038768 H 2.6567867484 1.2777818321 2.0856420971 H 3.2639551043 2.1442772376 0.6535860887 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new/Phosphamidon_Z/gaussian/water/CONF138/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_Z CONF138 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new/Phosphamidon_Z/gaussian/water/CONF138/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_Z CONF138 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new/Phosphamidon_Z/gaussian/water/CONF138/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Phosphamidon_Z CONF138 water 0 1