%chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/dimethenamid/water/CONF112/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dimethenamid CONF112 water 0 1 Cl -0.6030691280 3.4887881581 1.4726928784 S 2.8575112236 -0.5487782365 -1.5447317421 O -2.7470997743 -0.6770436334 -1.3003230964 O -2.0924408685 1.0318329706 1.2853761975 N -0.4877099730 -0.3560418249 0.4821178549 C -1.3824194469 -1.5288624554 0.4848791337 C 0.8379097094 -0.4889856512 -0.0084499850 C -1.9878524756 -1.7852486494 -0.8842173035 C -0.6905895942 -2.7880014449 0.9787486495 C 1.9566402974 -0.8080555639 0.8371865956 C 1.1748436595 -0.2976817277 -1.3218912269 C -0.9579780329 0.8508280486 0.8789084172 C 3.1084246164 -0.8758657158 0.1202514783 C 1.8869411741 -0.9894651406 2.3183089821 C 0.3259525303 0.1367415508 -2.4654694895 C 0.0490055126 1.9892517286 0.7775768122 C -3.2794412214 -0.8560481270 -2.5926609461 H -2.1901229613 -1.3004834666 1.1803675786 H -1.1970120738 -2.0188414021 -1.6112253763 H -2.6222408036 -2.6793659742 -0.8124006361 H -0.3367143218 -2.6723604777 2.0011371642 H 0.1475129824 -3.0858769972 0.3470768765 H -1.4091956009 -3.6078386554 0.9779176647 H 4.1005808759 -1.0908198301 0.4888147966 H 1.6333470657 -2.0135715016 2.5933450368 H 2.8468822970 -0.7594642086 2.7783106873 H 1.1371472440 -0.3377885234 2.7679374264 H -0.6496463411 0.4676599454 -2.1179288275 H 0.7850883395 0.9701385788 -2.9980330631 H 0.1721193021 -0.6665580806 -3.1873746557 H 0.9735784211 1.7548352318 1.3027178925 H 0.2976779092 2.1852818260 -0.2651184832 H -2.4946740343 -1.0088287957 -3.3422623092 H -3.8376567652 0.0414316922 -2.8562151729 H -3.9606047426 -1.7134185873 -2.6377521220 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/dimethenamid/water/CONF112/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dimethenamid CONF112 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/dimethenamid/water/CONF112/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 dimethenamid CONF112 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/dimethenamid/water/CONF112/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dimethenamid CONF112 water 0 1