%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/inpyrfluxam/water/CONF13/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization inpyrfluxam CONF13 water 0 1 F -2.2814708334 0.1722294076 -2.6657943181 F -1.8493283457 2.0329523002 -1.6134797673 O -0.6661841930 -0.9314986087 1.7026087224 N -0.3378516362 -0.6284095322 -0.5147918324 N -4.6109546257 0.0265782446 0.9909011390 N -4.5022410204 0.6151538376 -0.1922433864 C 4.2247096523 0.2834424715 0.8824283000 C 3.2015091420 1.0619984132 1.7394908018 C 1.8289828431 0.9596273263 1.0437612805 C 3.3307214276 -0.6303807666 0.0753188093 C 1.9911967087 -0.2660810228 0.1802988982 C 5.0022603686 1.2094732691 -0.0575393001 C 5.2096188634 -0.4923156294 1.7523067440 C 1.4582095596 2.1941113470 0.2229320873 C 1.0317722955 -0.9736323551 -0.5397800126 C 3.7310784566 -1.6748930247 -0.7441582939 C 1.4310246416 -2.0247881064 -1.3616116439 C 2.7708367069 -2.3691917241 -1.4681097469 C -1.1003496501 -0.6173457590 0.6004828755 C -2.5063204924 -0.2122801950 0.4458672437 C -3.2402994084 0.4821798134 -0.5443114336 C -3.4504928468 -0.4749599744 1.4189565002 C -2.8256923758 1.1067853559 -1.8226442218 C -5.8887615225 -0.0216914607 1.6652328508 H 3.5070894225 2.0977576542 1.9022317869 H 3.1335211195 0.5952066181 2.7251215409 H 1.0521307670 0.8134866101 1.7948454870 H 5.6198905239 1.9068851234 0.5124130311 H 5.6654678447 0.6396743526 -0.7118447744 H 4.3395691249 1.7976240548 -0.6937917573 H 4.6953154561 -1.2057332077 2.3981887083 H 5.9324090197 -1.0460682534 1.1494305260 H 5.7747012349 0.1885729989 2.3925755445 H 0.4904488468 2.0744952522 -0.2646026599 H 2.1953234486 2.4041625478 -0.5529240695 H 1.3927566323 3.0733464590 0.8657819724 H 4.7765953527 -1.9462749336 -0.8301492219 H 0.6857315695 -2.5777300971 -1.9199107639 H 3.0607686124 -3.1877576750 -2.1136119129 H -0.8023055987 -0.5922329637 -1.4085225752 H -3.3643169478 -0.9870550917 2.3632035336 H -3.6606957068 1.5825167731 -2.3351157801 H -6.2709982916 0.9850676058 1.8119419847 H -6.6017184943 -0.5984303751 1.0813636740 H -5.7563192649 -0.4953132292 2.6324745956 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/inpyrfluxam/water/CONF13/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction inpyrfluxam CONF13 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/inpyrfluxam/water/CONF13/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 inpyrfluxam CONF13 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/inpyrfluxam/water/CONF13/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point inpyrfluxam CONF13 water 0 1