%chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/esprocarb/water/CONF24/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization esprocarb CONF24 water 0 1 S -0.4616460972 2.1990518426 0.0781750228 O 0.2486586426 0.3405534028 1.7915656292 N 1.6712283971 0.6001161091 0.0371882797 C 2.4855295704 -0.5609380080 0.4309264712 C 2.1762286475 -1.7764413817 -0.4659176191 C 3.9650991183 -0.2001785992 0.4647728666 C 2.9047108776 -3.0151726821 0.0480853680 C 0.6795059340 -2.0616607996 -0.5627471927 C 1.9911299846 1.2599647900 -1.2254882748 C 0.5701892471 0.8883840214 0.7480164691 C 2.6807812686 2.6044018262 -1.0669284603 C -2.0482085769 1.7426389350 0.8423737138 C -2.5605646035 0.4240822459 0.3426318168 C -2.7077172299 -0.6560762605 1.2065414098 C -2.8754840441 0.2537387263 -1.0049126925 C -3.1467382617 -1.8870597889 0.7337127218 C -3.3152339603 -0.9721896927 -1.4785298106 C -3.4442579392 -2.0510155907 -0.6109779025 H 2.1888326415 -0.8186316925 1.4474135330 H 2.5490424195 -1.5642145438 -1.4748310323 H 4.5381084452 -1.0049152144 0.9234843721 H 4.3789427421 -0.0321850525 -0.5310212936 H 4.1355996876 0.6949399449 1.0626100605 H 3.9887953908 -2.9134881724 0.0041277342 H 2.6301868795 -3.2296799381 1.0840406187 H 2.6396969469 -3.8887910497 -0.5492603780 H 0.5066826121 -2.9402724617 -1.1864756786 H 0.2485306682 -2.2710273803 0.4184949843 H 0.1190726738 -1.2396972713 -1.0112274920 H 2.6370092383 0.5911891429 -1.7919362785 H 1.0842348597 1.3661201243 -1.8230545122 H 3.6342173507 2.5050516483 -0.5486931489 H 2.8784591942 3.0305998661 -2.0511067460 H 2.0724728460 3.3215442864 -0.5150342235 H -2.7143461050 2.5590240419 0.5558955338 H -1.9606934736 1.7626856843 1.9272363774 H -2.4763216785 -0.5378146514 2.2576513068 H -2.7683480808 1.0851690057 -1.6915970342 H -3.2492296372 -2.7188899764 1.4185578537 H -3.5560564290 -1.0882740264 -2.5273992167 H -3.7806557773 -3.0103076872 -0.9821412135 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/esprocarb/water/CONF24/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction esprocarb CONF24 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/esprocarb/water/CONF24/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 esprocarb CONF24 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/esprocarb/water/CONF24/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point esprocarb CONF24 water 0 1