%chk=/home/apulgar/almacen/pesticidas/B/diethofencarb/gaussian/water/CONF19/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization diethofencarb CONF19 water 0 1 O -3.8598307759 -0.7696464835 0.1033009856 O 2.3573916009 1.6465775879 -0.0037145186 O 3.8355229478 -0.4576583605 0.0362729360 O -2.5189098404 1.0426147840 0.0526663020 N -1.6856959565 -1.0881602116 0.0870951371 C -0.2979857170 -0.8911587258 0.0746995442 C 1.6909941194 0.4734686437 0.0287814617 C -5.0549106951 0.0447873081 0.0610560871 C 2.5002612385 -0.6768926181 0.0506636659 C 0.3096146824 0.3681906614 0.0406844547 C 0.5005868482 -2.0247996612 0.0964648370 C 1.8874467750 -1.9159490122 0.0843167149 C -6.1578332350 -0.7929796179 0.6702092076 C -5.3608289094 0.4508808146 -1.3665246066 C -2.6736058199 -0.1630200547 0.0766770249 C 1.6143598368 2.8600247439 -0.0300521940 C 4.7057556556 -1.5813175233 0.0627208318 C 2.5944110946 4.0062557128 -0.0681966159 C 6.1258480868 -1.0720433798 0.0481622357 H -4.8974082430 0.9329777821 0.6765557168 H -0.2926960326 1.2605209967 0.0236043434 H 0.0500777825 -3.0091912824 0.1232282458 H 2.4724132602 -2.8253564445 0.1021576802 H -1.9798808149 -2.0549091370 0.1104905908 H -6.3473475306 -1.6951995729 0.0867204725 H -7.0791165561 -0.2116294446 0.6938836558 H -5.9228321980 -1.0831335251 1.6944673735 H -4.5605058714 1.0445739747 -1.8073331811 H -5.5299469104 -0.4245419662 -1.9954015783 H -6.2670639206 1.0565181429 -1.3855743295 H 0.9769659297 2.9316352526 0.8570191728 H 0.9634668141 2.8849851979 -0.9098498350 H 4.5209916025 -2.2237177581 -0.8047008198 H 4.5237751270 -2.1798909957 0.9615330989 H 3.2236084594 3.9672393488 -0.9575309026 H 2.0444755797 4.9465535044 -0.0900368359 H 3.2361747092 4.0156404525 0.8129333043 H 6.8126022336 -1.9177847294 0.0677096915 H 6.3352068094 -0.4937582171 -0.8519610037 H 6.3376867287 -0.4507518613 0.9185555751 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/B/diethofencarb/gaussian/water/CONF19/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction diethofencarb CONF19 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/B/diethofencarb/gaussian/water/CONF19/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 diethofencarb CONF19 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/B/diethofencarb/gaussian/water/CONF19/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point diethofencarb CONF19 water 0 1