%chk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/water/CONF50/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization metalaxyl CONF50 water 0 1 O -2.4711254546 -0.5374517513 1.2937448953 O -0.2342236636 3.3664355608 -0.9008624146 O -1.7565618412 1.1507252607 -0.9823902128 O -3.4239604274 -1.4882055013 -0.4851796028 N -0.1513300452 -0.2072524712 -0.1893264427 C -1.0304054580 -1.3591089646 -0.3999452315 C 1.2227792264 -0.3953913174 0.1537835638 C 1.6481216021 -0.2318466703 1.4725418888 C 2.1157643620 -0.7513613979 -0.8673099214 C -0.5049541889 -2.6176699844 0.2801213767 C -0.6183639841 1.0056609506 -0.5605925696 C -2.4417378089 -1.1042355995 0.1043926951 C 2.9993085101 -0.4319030058 1.7565271756 C 3.4521333752 -0.9432681274 -0.5438800635 C 0.7284138605 0.1723928754 2.5848261221 C 1.6478586632 -0.9141598497 -2.2820179014 C 3.8924664777 -0.7855271861 0.7628893191 C 0.3265580809 2.1900704430 -0.3976114271 C -3.7514595640 -0.2759821098 1.8701353279 C -0.1037957643 3.4957511719 -2.3021859523 H -1.1293310231 -1.5553309999 -1.4709790606 H -1.2097581480 -3.4328614338 0.1194733264 H 0.4484254191 -2.9300171697 -0.1422915516 H -0.3787492065 -2.4823012264 1.3537253659 H 3.3468674200 -0.3087583459 2.7750105026 H 4.1543784081 -1.2158128159 -1.3216672441 H -0.3212238323 0.1115566878 2.3147037777 H 0.8859896293 -0.4583461409 3.4600128319 H 0.9309439339 1.1992853770 2.8964763651 H 2.4933343105 -1.0599616574 -2.9521406909 H 0.9923275196 -1.7796549756 -2.4003382645 H 1.0948280152 -0.0432735259 -2.6395575783 H 4.9367116250 -0.9369756557 1.0028798668 H 0.5125689002 2.3402235499 0.6704832035 H 1.3004632753 1.9756238210 -0.8562693134 H -3.5564325495 0.2264014365 2.8125822468 H -4.2980547679 -1.1988115652 2.0608538296 H -4.3477100005 0.3759491890 1.2326129604 H 0.9479896192 3.5005302238 -2.6083867588 H -0.5478011372 4.4485852819 -2.5870949037 H -0.6181592128 2.7030188478 -2.8527435823 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/water/CONF50/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction metalaxyl CONF50 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/water/CONF50/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 metalaxyl CONF50 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A1/metalaxyl/water/CONF50/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point metalaxyl CONF50 water 0 1