%chk=/home/apulgar/almacen/pesticidas/G4/Sulfoxaflor/gaussian/water/CONF17/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Sulfoxaflor CONF17 water 0 1 S -2.9685980084 -0.0797243541 0.1032959285 F 3.8217564759 0.5716098942 1.3498197689 F 4.3249138723 -0.5440925068 -0.4207023820 F 3.7714840376 1.5254679866 -0.5778739509 O -2.9939075181 -0.5236993708 1.4984217484 N -2.5510929883 1.4124382418 -0.1896631208 N 1.5046138145 0.2932077031 -1.2547572787 N -0.6067721890 2.4359432596 0.9435639825 C -1.8976742331 -1.2052115484 -0.8629598527 C -0.4825129570 -0.8308193651 -0.5419610271 C -2.2598101142 -2.6515525405 -0.5758336829 C -4.5659010129 -0.1800914473 -0.6373581772 C 0.1249596066 -1.1653291739 0.6610610264 C 0.2571095349 -0.0920292185 -1.4610912809 C 1.4259535976 -0.7528167336 0.8929206158 C 2.0630803010 -0.0258340129 -0.0975429997 C 3.4995059582 0.3930499458 0.0659761322 C -1.5032861788 1.9029494867 0.4287313579 H -2.1210957408 -0.9528043391 -1.9034713033 H -2.0887472734 -2.9290692095 0.4620451927 H -3.2973636378 -2.8662696339 -0.8278471766 H -1.6349846964 -3.2858816560 -1.2032238996 H -5.2177856361 0.4984097588 -0.0887262355 H -4.5048995539 0.1109540461 -1.6829002905 H -4.9277264607 -1.2015790187 -0.5428112233 H -0.3915459963 -1.7431169317 1.4151250078 H -0.1852419573 0.1881866972 -2.4105455591 H 1.9164848362 -1.0003807418 1.8235136078 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Sulfoxaflor/gaussian/water/CONF17/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 CONF17 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Sulfoxaflor/gaussian/water/CONF17/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 CONF17 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G4/Sulfoxaflor/gaussian/water/CONF17/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Sulfoxaflor CONF17 water 0 1