%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/picoxystrobin/octanol/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization picoxystrobin CONF26 octanol 0 1 F -1.7267659111 2.6342626484 -1.2525638051 F -1.9552292966 1.5084923144 -3.0693835779 F -3.6917973084 2.1141116574 -1.9514505280 O 0.1290312139 -2.0161220995 -0.5779483050 O 2.9981213314 -2.0125092282 1.2475906152 O -0.5832422183 0.8496225304 2.0037972006 O 1.4853817509 -2.6162186603 2.7742973487 N -1.2098124861 -0.2623625864 -1.1818414936 C 1.6784396796 -0.1087004827 -0.8715159812 C 1.7256622209 0.2773487090 0.4735759350 C 1.1768223220 -1.4470892758 -1.3496050123 C 2.1531114549 0.7664425199 -1.8445462424 C 2.2396213326 1.5342357336 0.7949387257 C 1.2164198352 -0.5733448060 1.5749717316 C 2.6755838405 2.0050859182 -1.5112606286 C 2.7155612877 2.3945759294 -0.1810263098 C -1.0264034392 -1.3582267307 -0.4862716470 C 1.8788557855 -1.8276343662 1.9407242067 C 0.1211841288 -0.2364536811 2.2799195687 C -1.9943060351 -1.8878834275 0.3781598321 C -2.3616240136 0.3866557063 -1.0436734831 C -3.3841352374 -0.0266110127 -0.2214246521 C -3.1808531563 -1.2057554888 0.4992674896 C -2.4407009376 1.6632268249 -1.8364965647 C 3.7559770103 -3.1877264534 1.5201970315 C -1.6880935943 1.1243540973 2.8571900395 H 0.8716778940 -1.3671769653 -2.3962019463 H 1.9756107935 -2.1892235958 -1.3061185492 H 2.1022803432 0.4734026206 -2.8869061813 H 2.2771792807 1.8341663401 1.8349842210 H 3.0369733944 2.6660817476 -2.2884641209 H 3.1129041651 3.3623416310 0.0965026057 H -0.2274043347 -0.8605225256 3.0997460488 H -1.8011661764 -2.7987507337 0.9287354238 H -4.3074235503 0.5260153031 -0.1255291934 H -3.9552917707 -1.5766477157 1.1573856673 H 3.1868953895 -4.0949345419 1.3144525170 H 4.6154448718 -3.1489296187 0.8559817742 H 4.1061176897 -3.2090618268 2.5529868253 H -1.3500273450 1.4286369303 3.8498368056 H -2.3468515111 0.2594344607 2.9520559716 H -2.2414131702 1.9436178424 2.4046335857 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/picoxystrobin/octanol/CONF26/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 picoxystrobin CONF26 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/picoxystrobin/octanol/CONF26/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 picoxystrobin CONF26 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/picoxystrobin/octanol/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point picoxystrobin CONF26 octanol 0 1