%chk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dimethomorph_Z CONF1 water 0 1 Cl -6.7632299465 0.4582124108 0.0545600613 O 3.7536546084 -1.4834369813 1.9824204395 O 1.2133441806 -2.8152349040 -1.9380658074 O 3.1658006510 1.7299212009 -1.6543513086 O 2.9266914103 3.3564460255 0.3245032566 N 1.7628905418 -2.4345584396 0.2188355899 C 1.4456720808 -2.1111856315 1.5997591544 C 3.1608674080 -2.7860371296 0.0244558349 C 2.4097860123 -1.0719149636 2.1381904806 C 4.0489089020 -1.7107280726 0.6197811774 C 0.9055958148 -2.4186710356 -0.8113199902 C -0.8981760741 -0.7078731412 -0.3448318180 C -0.4956174145 -1.9627332689 -0.5927179191 C 0.0535492630 0.4108949500 -0.1861226132 C -2.3415899978 -0.4100274990 -0.2180170249 C 1.1316509565 0.5573129668 -1.0675023578 C -0.0755441159 1.3044853130 0.8661301024 C 2.0826734838 1.5402593095 -0.8709729801 C -3.2132606595 -1.3158307586 0.3867017800 C -2.8684737656 0.7800926887 -0.7199477576 C 1.9541594234 2.4303189452 0.2141230831 C 0.8688249967 2.3069463480 1.0661252570 C -4.5712124335 -1.0579275031 0.4721122993 C -4.2247302317 1.0516178869 -0.6450679263 C -5.0670993252 0.1259473476 -0.0496679284 C 3.3696236602 0.8351168507 -2.7325976323 C 2.8514200823 4.2771065700 1.3973403143 H 1.5226339231 -3.0245208359 2.1981712546 H 0.4254241309 -1.7487920731 1.6901190746 H 3.3792189102 -2.8877467314 -1.0352721311 H 3.3636378626 -3.7503925503 0.5005099903 H 2.2451209151 -0.1103342088 1.6370377597 H 2.2296094872 -0.9315372432 3.2045960343 H 5.0913618509 -2.0242335903 0.5564051579 H 3.9372520439 -0.7821782812 0.0429057531 H -1.2352020631 -2.7343101080 -0.7799022012 H 1.2060312851 -0.0983871789 -1.9239937684 H -0.9014597639 1.2193255257 1.5601618081 H -2.8304193655 -2.2322390399 0.8164939086 H -2.2185802168 1.5051911681 -1.1922054713 H 0.7454722202 2.9792010448 1.9040745088 H -5.2294224894 -1.7703138477 0.9504311223 H -4.6156554223 1.9745156083 -1.0507721589 H 2.5698670486 0.9019336432 -3.4745597395 H 3.4523798011 -0.2015709237 -2.3937641697 H 4.3061568750 1.1265304275 -3.2019671654 H 1.9474568119 4.8887610172 1.3469245628 H 3.7185874626 4.9265845839 1.3059899576 H 2.8883416404 3.7751140160 2.3672078813 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dimethomorph_Z CONF1 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF1/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 dimethomorph_Z CONF1 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dimethomorph_Z CONF1 water 0 1