%chk=/home/apulgar/almacen/pesticidas/H/flumorph_Z/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization flumorph_Z CONF3 water 0 1 F -6.3711121291 0.9295551390 -0.0463895543 O 3.5565090528 -1.6835538497 1.7962165460 O 0.7522075653 -3.3736318406 -1.7792908226 O 1.0282376411 3.2385302791 1.2587250283 O 2.9505172959 3.1005653455 -0.4433933024 N 1.4045501919 -2.7079472849 0.2784990730 C 1.1792276871 -2.0994497021 1.5784378331 C 2.7433666356 -3.2608532382 0.1414164159 C 2.2740186136 -1.0949838255 1.8887037837 C 3.7732804238 -2.2062141729 0.5011822443 C 0.5237666685 -2.7631270157 -0.7322901554 C -1.0809501733 -0.8164125809 -0.5190661725 C -0.8132034002 -2.1282914026 -0.5720448907 C -0.0226206479 0.2135219945 -0.5691609631 C -2.4798029372 -0.3516495507 -0.3861499806 C -0.0400836382 1.2576790824 0.3661851771 C 1.0020569634 0.1660819230 -1.4992576496 C 0.9612435380 2.2085355070 0.3883614327 C -3.3904961404 -1.0361146552 0.4195027340 C -2.9190989985 0.7856081198 -1.0657510154 C 2.0149748530 2.1358845132 -0.5466236927 C 2.0167053809 1.1203885307 -1.4869504082 C -4.7050352125 -0.6133512103 0.5369738171 C -4.2311891364 1.2200509141 -0.9648579029 C -5.1017765466 0.5098760221 -0.1611334185 C -0.0387718726 3.4022942884 2.1742419684 C 4.0481430772 3.0596014747 -1.3363407338 H 1.1815446579 -2.8877576907 2.3380590506 H 0.2077806646 -1.6148481085 1.6210612179 H 2.9104313775 -3.5975489952 -0.8781998200 H 2.8456938725 -4.1289382764 0.7996038287 H 2.1985361374 -0.2367273772 1.2098383331 H 2.1522982072 -0.7291364125 2.9089687309 H 4.7697146806 -2.6493984704 0.4878018520 H 3.7493528040 -1.4014894535 -0.2466307021 H -1.6334771588 -2.8376409189 -0.6159792259 H -0.8440255895 1.2977106517 1.0893217143 H 1.0199747634 -0.6019262163 -2.2610253967 H -3.0677051127 -1.9021784360 0.9827231491 H -2.2340113777 1.3376156870 -1.6961040928 H 2.8005071697 1.0555411857 -2.2293449144 H -5.4030945684 -1.1428950997 1.1718975019 H -4.5682414629 2.0965175733 -1.5025438539 H -0.9963109039 3.5324737378 1.6635981852 H 0.1789336382 4.3028414805 2.7434113570 H -0.1164366481 2.5598423525 2.8659198797 H 4.6217256507 2.1352291504 -1.2320081886 H 4.6875082809 3.8998934828 -1.0768308862 H 3.7322837695 3.1673222411 -2.3768802707 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_Z/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction flumorph_Z CONF3 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_Z/gaussian/water/CONF3/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 flumorph_Z CONF3 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_Z/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point flumorph_Z CONF3 water 0 1