%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_Z/octanol/CONF37/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization metominostrobin_Z CONF37 octanol 0 1 O -0.3237027201 -1.2002584319 -0.6588920456 O 0.0431427849 3.5532946563 -1.3576106299 O 1.4241300717 1.0378830458 -1.7807214643 N 1.5506894103 1.0321597195 0.4729751010 N -0.9450747377 2.7513653929 -0.9000745113 C -1.5367205210 0.6992517467 0.0670130248 C -1.3946487086 -0.6873309829 0.0152242714 C -2.6800247857 1.2169621488 0.6845587435 C -0.5400596551 1.6015564031 -0.5338122227 C -2.3503929096 -1.5338038155 0.5605990053 C -3.6341407586 0.3817893795 1.2335753426 C -3.4695467681 -0.9972683016 1.1714690978 C 0.5955212937 -1.9753385550 -0.0092436404 C 0.9084123781 1.1875119454 -0.6845777674 C 0.7312672381 -2.0040834324 1.3729965772 C 1.4532243369 -2.7064181352 -0.8212000447 C 1.7417024335 -2.7726963571 1.9357234307 C 2.4590257807 -3.4648252324 -0.2427900050 C 2.6097235752 -3.5032349574 1.1374092455 C 2.9294744683 0.6090679494 0.5416198298 C -0.4808920589 4.8170175311 -1.7262123783 H -2.8067324853 2.2894901395 0.7458492631 H -2.2206562795 -2.6069277109 0.4932352681 H -4.5066241632 0.8045887530 1.7135332475 H -4.2157500992 -1.6565046955 1.5952190066 H 0.0746182992 -1.4310932523 2.0149252219 H 1.3359268555 -2.6715474735 -1.8971407540 H 1.8492953245 -2.7907174427 3.0128265602 H 3.1282422627 -4.0304294692 -0.8783168545 H 1.0499717941 1.1749531487 1.3358789418 H 3.3962561923 -4.0959160621 1.5854503037 H 3.1709334185 0.3837341157 1.5762953289 H 3.6088750676 1.3888420095 0.1935442201 H 3.1014549982 -0.2873298464 -0.0537346262 H -0.9357223720 5.3283680787 -0.8748467064 H -1.2146588646 4.7312358535 -2.5303975819 H 0.3658668901 5.4021260327 -2.0799554305 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_Z/octanol/CONF37/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 metominostrobin_Z CONF37 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_Z/octanol/CONF37/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 metominostrobin_Z CONF37 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/metominostrobin_Z/octanol/CONF37/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point metominostrobin_Z CONF37 octanol 0 1