%chk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/octanol/CONF32/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization metalaxyl CONF32 octanol 0 1 O -3.3965009788 -1.2939206467 -0.0368704412 O -0.1662131257 3.4510024778 -0.8179391503 O -1.7450204031 1.2649351000 -0.7260897040 O -2.3457076837 -0.4047300379 1.7206613762 N -0.1047236491 -0.1205285513 -0.0717184944 C -1.0521411353 -1.2325805979 -0.1477009204 C 1.2847523536 -0.3528952455 0.1531219994 C 1.8254606962 -0.1565078229 1.4271115386 C 2.0716922014 -0.7900870611 -0.9189571512 C -0.4924064457 -2.5239312405 0.4350923237 C -0.5704669955 1.0966079988 -0.4456942683 C -2.3223123103 -0.8885744284 0.6183033819 C 3.1843623003 -0.4041868037 1.6090461744 C 3.4229171507 -1.0298258702 -0.6965740419 C 0.9947571063 0.3333759133 2.5741296426 C 1.4775871282 -0.9990073431 -2.2796670966 C 3.9763217873 -0.8381402166 0.5598398461 C 0.4377977530 2.2381682333 -0.4969736382 C -4.6612233313 -1.1005285180 0.5958713377 C -0.3659923940 3.6551386293 -2.1991856359 H -1.3211501621 -1.4087198297 -1.1931608111 H 0.3656181785 -2.8845282857 -0.1299929002 H -0.1965490099 -2.4108553985 1.4776045622 H -1.2560903866 -3.3003911289 0.3843606767 H 3.6224960237 -0.2571691208 2.5887117983 H 4.0454992661 -1.3686561430 -1.5154462343 H 0.8568864214 1.4172730437 2.5323480989 H 0.0002504586 -0.1072875439 2.5907831051 H 1.4811812797 0.1143170949 3.5237229371 H 0.7835817690 -1.8425935293 -2.2988702415 H 0.9260180089 -0.1256282255 -2.6326463514 H 2.2542281200 -1.2100251991 -3.0132243209 H 5.0297588572 -1.0283543287 0.7207452149 H 0.9069181202 2.3543718666 0.4840086777 H 1.2476447397 1.9864368548 -1.1968147265 H -5.4049041652 -1.4685684828 -0.1054317392 H -4.8490063256 -0.0453314017 0.7952973264 H -4.7349358978 -1.6636374432 1.5263442822 H -1.0707523210 2.9452399100 -2.6407921060 H 0.5763649978 3.5973163430 -2.7568443512 H -0.7729589062 4.6584760879 -2.3242420286 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/octanol/CONF32/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction metalaxyl CONF32 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/octanol/CONF32/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum metalaxyl CONF32 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/octanol/CONF32/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point metalaxyl CONF32 octanol 0 1