%chk=/home/apulgar/almacen/pesticidas/G4/Sulfoxaflor/gaussian/water/CONF23/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Sulfoxaflor CONF23 water 0 1 S -2.7956752809 0.1709534124 -0.6085305750 F 4.3319869213 -0.5007527760 1.0424411883 F 4.4469287798 -0.1586519210 -1.0781127909 F 3.8810127493 1.4420277711 0.2448037677 O -4.1969410766 -0.2528546202 -0.6356898159 N -2.4263687465 1.4387887976 0.2534583538 N 1.5483849065 0.1065452579 0.9277981335 N -3.1867514514 1.6457586819 2.5964530163 C -1.7848492367 -1.2749089512 -0.1235497291 C -0.3312900959 -0.9125890001 -0.1374099168 C -2.3081024125 -1.8288736354 1.1940905056 C -2.2350788535 0.6297424302 -2.2143678760 C 0.4719027622 -1.2806375389 -1.2052110464 C 0.2670621387 -0.2136531825 0.9106532083 C 1.8190195563 -0.9517226776 -1.1964337817 C 2.2989495267 -0.2571264536 -0.1037253899 C 3.7464591030 0.1326923784 0.0196659635 C -2.8502888590 1.4991688189 1.4929011299 H -1.9898263179 -1.9907942451 -0.9254550445 H -1.7532316026 -2.7393326974 1.4157824384 H -2.1764907817 -1.1467690464 2.0312504897 H -3.3603547347 -2.0952659432 1.1221644009 H -1.1987585044 0.9540440311 -2.1777334018 H -2.3497702187 -0.2292344279 -2.8727885309 H -2.8720077363 1.4467039516 -2.5515333239 H 0.0533892947 -1.8280829390 -2.0403385212 H -0.3045011952 0.0904558618 1.7795226279 H 2.4534340549 -1.2397298008 -2.0218129044 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Sulfoxaflor/gaussian/water/CONF23/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Sulfoxaflor CONF23 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Sulfoxaflor/gaussian/water/CONF23/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 Sulfoxaflor CONF23 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Sulfoxaflor/gaussian/water/CONF23/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Sulfoxaflor CONF23 water 0 1