%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/water/CONF45/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization pyribencarb CONF45 water 0 1 Cl -5.2985848989 0.7018423229 -0.0118458369 O 1.7933706372 -2.8188614489 0.8057535929 O 0.8937632294 2.8023960664 -0.2560553024 O -0.6346771052 2.5934880359 1.3885199901 N -1.1688812105 2.2037561702 -0.7856266491 N 0.6620655009 -2.0490066780 0.7781045223 N 4.0388531235 -0.0097757481 0.4386562641 C -2.6215149823 0.3016229779 -0.1115937493 C -1.6154378047 -1.8586992839 0.3783082482 C -1.5106241736 -0.5157274290 0.0138919764 C -2.5079973694 1.7499703938 -0.5295529962 C -3.8683077480 -0.2676227796 0.1430632867 C -2.8776158291 -2.3946381756 0.6115226133 C -0.4006231590 -2.6927445805 0.4904841674 C -4.0053348760 -1.5976630112 0.4990428045 C -0.5106254022 -4.1644240867 0.2574905308 C 3.2233858712 -0.9838889340 0.0412825913 C 2.9087835404 -2.0063502917 1.1010736381 C 4.3866875712 0.9437935474 -0.4206811126 C 2.7234374499 -1.0615022520 -1.2500993454 C 3.8996572344 0.9646218596 -1.7255713930 C 3.0651708187 -0.0555178083 -2.1422026220 C -0.3261800462 2.5297141461 0.2126407135 C 5.3390024749 1.9969364534 0.0517820274 C 1.8678547706 3.2363232482 0.6899104465 H -0.5309356180 -0.1158729587 -0.2101135030 H -3.0824728571 1.9075647590 -1.4429975455 H -2.9669114166 2.3897568950 0.2257115078 H -2.9991515393 -3.4323779311 0.8921849679 H -4.9849720532 -2.0152066148 0.6874042275 H -0.7856751697 2.0450293384 -1.7053764359 H -1.1458061133 -4.3664471196 -0.6041775984 H 0.4519503136 -4.6402420486 0.0934173422 H -0.9757135626 -4.6479261920 1.1193980181 H 2.7811951694 -1.5034226894 2.0641945991 H 3.7466879550 -2.6996506246 1.2055279203 H 2.0801753697 -1.8720211705 -1.5619563565 H 4.1783687305 1.7658849351 -2.3973399278 H 2.6802896532 -0.0706654134 -3.1535930614 H 6.3431134333 1.8046352366 -0.3329771210 H 5.0481753353 2.9861700105 -0.3019124755 H 5.3984972977 2.0190674879 1.1381501781 H 2.0982472624 2.4589744360 1.4180210618 H 2.7598046573 3.4633727672 0.1134962550 H 1.5483941266 4.1384509566 1.2118384887 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/water/CONF45/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction pyribencarb CONF45 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/water/CONF45/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 pyribencarb CONF45 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/water/CONF45/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point pyribencarb CONF45 water 0 1