%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/azoxystrobin_Z/water/CONF169/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization azoxystrobin_Z CONF169 water 0 1 O 1.7809956115 0.8080901024 -1.8320233598 O -2.9776280642 0.7066612815 -1.2825994677 O 0.8874160163 -2.6257558290 1.7538856784 O 2.0883311174 -2.9619577996 -0.5751347112 O 0.3029649940 -0.5394884139 2.2732653193 N 0.4045935639 -0.0244844031 -3.3566181687 N -1.9441828399 -0.0467123886 -3.1029172263 N -1.9595869904 -2.3251429361 0.1024485031 C 2.2145675426 0.5633711129 0.5285093426 C 2.1041412912 1.3655655708 -0.6075233125 C 1.8651592179 -0.8758995324 0.5291985440 C 2.6573404753 1.1889772305 1.6970231928 C 2.3929583592 2.7202520614 -0.5905873953 C 2.9548458189 2.5406643716 1.7314691689 C 2.8168106782 3.3133119542 0.5864591278 C 0.5148463895 0.5391042138 -2.1637243429 C 0.9405957999 -1.3123666078 1.5873768498 C 2.3734111321 -1.6809876381 -0.4299487042 C -0.5750227811 0.8319122360 -1.3565894553 C -1.8007482584 0.4957098567 -1.9080549322 C -3.0170482416 0.9828267198 0.0607288401 C -2.7303593286 -0.0281251301 0.9790644730 C -3.4146474871 2.2327935460 0.4887583847 C -2.8414401580 0.2261288537 2.3446540784 C -3.5296028754 2.4735850375 1.8511164815 C -3.2424953353 1.4780615232 2.7758620240 C -0.8241209041 -0.2800888285 -3.7628632116 C 0.0722421337 -3.1233007850 2.8157260774 C 2.5845021832 -3.5752720171 -1.7658214647 C -2.3120421477 -1.3028334227 0.5039569805 H 2.7828623852 0.5994181176 2.5956331323 H 2.2922731486 3.2993349695 -1.4994727469 H 3.3002781785 2.9895329759 2.6529733310 H 3.0455289723 4.3702454313 0.6044647524 H 3.0729585624 -1.2667589176 -1.1521232941 H -0.4721128171 1.2952763585 -0.3849084041 H -3.6401171966 3.0048461855 -0.2345521815 H -2.6192213325 -0.5582179405 3.0545074601 H -3.8458104599 3.4504907520 2.1905306485 H -3.3337047281 1.6767356285 3.8344014964 H -0.9258711590 -0.7291486272 -4.7425370146 H 0.1601536055 -4.2052302957 2.7726956718 H 0.4291824732 -2.7740284269 3.7846773474 H -0.9739431706 -2.8454645798 2.6948047454 H 3.6703046279 -3.4936105031 -1.8283587530 H 2.1319040570 -3.1238391846 -2.6496877351 H 2.3058764398 -4.6240716018 -1.7170006654 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/azoxystrobin_Z/water/CONF169/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction azoxystrobin_Z CONF169 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/azoxystrobin_Z/water/CONF169/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 azoxystrobin_Z CONF169 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/azoxystrobin_Z/water/CONF169/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point azoxystrobin_Z CONF169 water 0 1