%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/triclopyricarb/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization triclopyricarb CONF8 water 0 1 Cl 0.4723787954 3.1315908623 -1.5272653800 Cl 4.3789913153 0.1056069841 0.6206331652 Cl 2.6659778858 -2.4325076347 -0.1626719800 O -0.7692770081 0.5458731917 -1.9245909591 O -2.9390374190 1.3223506277 -0.1005381652 O -0.1762697512 0.5146448683 1.8124907116 O -1.2065623014 2.4993693457 1.5153884773 N -2.0223243118 0.5894823131 0.5997570174 N 0.9433770365 -0.7511500679 -1.1226226926 C -1.8554909082 -1.3919092227 -0.8258323594 C -2.0652964028 -0.8135534068 0.4275416082 C -1.5729253800 -0.6185162010 -2.0863305924 C -1.9523689076 -2.7759389195 -0.9318379372 C -2.3496405883 -1.6060680382 1.5347087495 C -2.2333553910 -3.5685654167 0.1691083308 C -2.4237094190 -2.9828516199 1.4122281381 C 0.4384041803 0.4292088307 -1.3932497454 C -1.1317312341 1.3026466505 1.3356840849 C 1.1470048186 1.6072354464 -1.1218055099 C 2.3758950142 1.5118619562 -0.5126441443 C -4.1927608908 1.3681898145 0.5786079176 C 2.8750605049 0.2555638329 -0.1890846943 C 2.1097189127 -0.8459674503 -0.5268996901 C 0.8136393348 1.1232595947 2.6419708020 H -1.1169087396 -1.2842210878 -2.8216809297 H -2.5002694709 -0.2439890183 -2.5194846473 H -1.7832170359 -3.2408277232 -1.8956045637 H -2.5176487718 -1.1341590428 2.4943442175 H -2.2935966262 -4.6427467641 0.0560400539 H -2.6398869002 -3.5912939344 2.2798351681 H 2.9409586234 2.4029234683 -0.2750954600 H -4.6204459780 0.3714082218 0.7036896328 H -4.1045082459 1.8521578619 1.5525437601 H -4.8506552259 1.9564489521 -0.0572797614 H 0.3758825779 1.5044095806 3.5643608713 H 1.3347119984 1.9290781628 2.1264094646 H 1.5220501874 0.3358394683 2.8811662590 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/triclopyricarb/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction triclopyricarb CONF8 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/triclopyricarb/water/CONF8/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 triclopyricarb CONF8 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/triclopyricarb/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point triclopyricarb CONF8 water 0 1