%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fluoxastrobin_E/water/CONF23/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fluoxastrobin_E CONF23 water 0 1 F 1.2081468149 -2.3562338214 0.9081088877 O 1.0917806471 -0.0792367390 -2.3122975706 O -0.8211193777 -0.7569185095 1.7409774154 O 1.2637116616 2.5772237715 -1.6282624281 O -1.8916380516 -2.2045586779 -0.8705813434 O 3.7322722744 -1.2417390738 0.6943397498 N 0.2393933786 1.7896882233 -1.1775460421 N -0.8760494191 -1.4878920042 -1.3907724323 N 0.6225806548 1.0311535567 1.9556889902 N 2.8641223040 0.7462447303 1.4148697087 C -1.8845612949 0.3259497998 -0.1131738558 C -1.8377672035 0.0448024214 1.2483685131 C -0.8815926317 -0.2651712159 -1.0284214584 C 0.2153013820 0.5654532084 -1.5418203299 C 2.2812114792 0.6519958802 -2.6094687708 C -2.9245110434 1.1101716706 -0.5961806791 C 1.9213732100 2.1001959767 -2.7937854520 C -2.8034593823 0.5139160752 2.1176780033 C -3.9013108457 1.5883780010 0.2644459270 C -3.8446131590 1.2826411090 1.6167778459 C 0.4291882047 -0.2619640110 1.6338270600 C 1.4324992067 -1.0814361951 1.2278738752 C 2.7698106934 -0.5944928103 1.0791440077 C 1.8232064326 1.4868744289 1.8219435529 C -1.7477126668 -3.5775198394 -1.2078306897 H 2.6991085383 0.2284678075 -3.5205813833 H 3.0005910567 0.5189405457 -1.7984165369 H -2.9710301937 1.3381449990 -1.6531126506 H 2.8118892178 2.7133864296 -2.9223467670 H 1.2766437944 2.2295783204 -3.6694592721 H -2.7422089472 0.2778068478 3.1719052805 H -4.7081444786 2.1953767439 -0.1230275179 H -4.6067760951 1.6516690833 2.2898194153 H 3.7743629324 1.1888460584 1.3405730898 H 2.0372626680 2.5202351218 2.0556278018 H -0.8353040865 -3.9979294489 -0.7815898850 H -2.6083042145 -4.0836203780 -0.7767307369 H -1.7485064188 -3.7276946176 -2.2884462280 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fluoxastrobin_E/water/CONF23/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction fluoxastrobin_E CONF23 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fluoxastrobin_E/water/CONF23/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 fluoxastrobin_E CONF23 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fluoxastrobin_E/water/CONF23/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fluoxastrobin_E CONF23 water 0 1