%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pyraziflumid/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization pyraziflumid CONF5 water 0 1 F -2.1619775445 2.5894318682 1.1943101542 F -2.7524258513 3.1644843051 -1.3578953725 F 0.6949967411 1.6606098726 -1.0926897936 F 2.4750979876 2.8279122389 -1.3152220119 F 2.3716041832 0.8939827190 -2.2265414222 O 0.7877820448 -1.0898242960 -0.9804256735 N 0.2945219666 -1.6672218304 1.1575543608 N 2.5786884914 -0.5197043466 1.9408555302 N 3.6381235423 1.6389709966 0.6204942141 C -1.8934567177 -2.1428535939 0.1750683943 C -0.7514631611 -2.5656898838 0.8634406546 C -2.0966652826 -0.7369920747 -0.2331554327 C -2.8797324986 -3.0869863813 -0.1071322872 C -0.6314160510 -3.8843515960 1.2854448304 C -2.0130386840 0.2932256498 0.7022886513 C -2.4091109132 -0.4279544767 -1.5533083724 C -2.7590655284 -4.4032198573 0.3095191581 C -1.6357590054 -4.8007826809 1.0199327865 C 0.9870204189 -1.0013569364 0.2154375289 C 2.0784033817 -0.1330148150 0.7739482229 C 2.6001507450 0.9861812396 0.1248287934 C -2.2329318162 1.5927757468 0.3044313680 C -2.6342482194 0.8831292562 -1.9458706958 C -2.5419252382 1.8901099545 -1.0107985128 C 2.0252841433 1.5869360370 -1.1405370504 C 3.6060578351 0.1405822569 2.4387670033 C 4.1587017006 1.2131266197 1.7565502067 H -3.7704308318 -2.7742659085 -0.6371235516 H 0.6644982052 -1.6600205240 2.0981547617 H 0.2604938911 -4.1925138906 1.8158305765 H -1.7971751901 0.0921917051 1.7432783530 H -2.4681534601 -1.2150094398 -2.2929475333 H -3.5463684706 -5.1114759722 0.0896353230 H -1.5329282011 -5.8233061013 1.3570636305 H -2.8735723822 1.1223684974 -2.9734502577 H 4.0021623894 -0.1837781769 3.3913281951 H 5.0204153952 1.7391095139 2.1438205952 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pyraziflumid/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction pyraziflumid CONF5 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pyraziflumid/water/CONF5/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 pyraziflumid CONF5 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/pyraziflumid/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point pyraziflumid CONF5 water 0 1