%chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/prosulfocarb/water/CONF151/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization prosulfocarb CONF151 water 0 1 S -0.3047090640 -1.4663496562 -1.6345368521 O -0.4043822816 1.1578392733 -1.7583656178 N -2.0471603673 0.2315169392 -0.5162710204 C -2.6049279126 1.5532888712 -0.2344407556 C -2.6336738478 -0.9007055731 0.1897487529 C -1.8362647077 2.3806364268 0.7902569262 C -2.2904008082 -0.9606447697 1.6730114922 C -0.9424933775 0.1744962291 -1.2733262998 C -2.4952278707 3.7373037782 0.9868099863 C -0.8028419150 -1.0669913723 1.9704919291 C 1.4414764580 -1.0464613384 -1.9394273535 C 2.1555528658 -0.7069532281 -0.6661358039 C 2.4727402444 -1.7128475974 0.2459260141 C 2.4789036809 0.6094007836 -0.3512000741 C 3.0884930525 -1.4093309971 1.4495857277 C 3.0941878434 0.9163501824 0.8568316397 C 3.3968866054 -0.0900132320 1.7617539450 H -3.6255020344 1.3947460276 0.1169178941 H -2.6863863790 2.1097409878 -1.1704149065 H -2.3379483506 -1.8308882020 -0.2925349405 H -3.7160594669 -0.8348619271 0.0675144397 H -1.7972727032 1.8501765642 1.7435487247 H -0.8033726544 2.5187332284 0.4666614097 H -2.7162739907 -0.0957632043 2.1871969185 H -2.8096903617 -1.8323247822 2.0790466350 H -1.9625062591 4.3286380201 1.7315712804 H -2.5089614245 4.3117807657 0.0590283992 H -3.5273534944 3.6343699585 1.3269010895 H -0.6290735692 -1.1043340470 3.0464243322 H -0.3727150110 -1.9683556728 1.5337146498 H -0.2431330881 -0.2136207573 1.5825337595 H 1.8528636335 -1.9487553040 -2.3942212968 H 1.5061430055 -0.2501525174 -2.6783911801 H 2.2273325568 -2.7426987483 0.0139042227 H 2.2554695447 1.4022736349 -1.0531555603 H 3.3285312145 -2.2022504055 2.1460116217 H 3.3367301541 1.9455497074 1.0880509133 H 3.8746112974 0.1489112763 2.7030052166 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/prosulfocarb/water/CONF151/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction prosulfocarb CONF151 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/prosulfocarb/water/CONF151/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 prosulfocarb CONF151 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/prosulfocarb/water/CONF151/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point prosulfocarb CONF151 water 0 1