%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization pydiflumetofen CONF3 water 0 1 Cl -0.2532772892 -1.3012795414 2.6504581358 Cl -3.6431458932 -0.9245724887 -1.5668675060 Cl -2.6790586763 3.3106588869 1.5336623614 F 2.2807074025 1.5192820274 -3.0594812674 F 2.6416219943 3.3698751964 -1.9599383925 O 1.3653142544 -2.5098578543 0.1346668770 O 0.0322038794 0.0411393545 -1.8006051325 N 0.5825534830 -1.8969381231 -0.8084939023 N 3.3389336596 0.9428784397 1.0475647865 N 3.2210836980 1.8767266075 0.1089404081 C -0.6839349672 -2.5669789392 -1.0742199751 C -1.6409631144 -2.4632871603 0.1281564833 C -0.4914374994 -4.0191205999 -1.4749998970 C -1.9292305471 -1.0465805913 0.5254697874 C 0.7537058613 -0.5619875406 -1.0155675421 C 1.8420257899 0.1478807803 -0.3296247252 C -1.3173181495 -0.4177538850 1.6103777218 C -2.8031157604 -0.2464483356 -0.2141392498 C 2.3174221145 1.4185448387 -0.7272911188 C 2.5452233098 -0.1098613493 0.8341075902 C -1.5299818745 0.9138647834 1.9337856846 C -3.0508765316 1.0825983746 0.0743469238 C 1.9376141510 2.2089081006 -1.9326669767 C -2.3966865790 1.6511577228 1.1522997753 C 2.5086199491 -3.1274287746 -0.4503041178 C 4.2481022900 1.1184350711 2.1595751514 H -1.1176431777 -2.0411802660 -1.9222296655 H -1.2297435283 -3.0218385346 0.9680928452 H -2.5704742958 -2.9667495956 -0.1423441717 H -0.0876667727 -4.6259891990 -0.6644194024 H 0.1618151831 -4.1108458216 -2.3421257661 H -1.4577925023 -4.4427057899 -1.7480369735 H 2.5310189179 -0.9354379982 1.5222363049 H -1.0288295631 1.3604047581 2.7804086495 H -3.7363921332 1.6606783906 -0.5286646177 H 0.8777485506 2.4482473094 -1.9861397202 H 2.2336939853 -3.9077479591 -1.1611879804 H 3.1538326566 -2.4008873522 -0.9488360892 H 3.0562829098 -3.5775949260 0.3755142467 H 4.9742425841 0.3096613061 2.1859380355 H 4.7705956447 2.0604987442 2.0335791643 H 3.7011351895 1.1394191075 3.0993505152 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction pydiflumetofen CONF3 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF3/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 pydiflumetofen CONF3 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pydiflumetofen/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point pydiflumetofen CONF3 water 0 1