%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/carborxin/water/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization carborxin CONF11 water 0 1 S 2.2983382609 -1.8033379739 0.2461941324 O 3.3142977735 1.0836274850 -0.4370076476 O -0.2983297766 -1.1124803351 1.5572654273 N -0.8471688582 0.2023461212 -0.2181148835 C 3.9860027511 -1.1944398856 0.0655528235 C 4.0222634682 -0.0481365578 -0.9178076429 C 1.4556073260 -0.2513821023 0.2239891698 C 2.0348907900 0.9373583395 -0.0302690933 C 0.0301322074 -0.4128245376 0.6112355893 C 1.3974881781 2.2755592138 0.1576857095 C -2.2454425089 0.2324468765 -0.1543744349 C -2.9137696082 0.6294611402 -1.3144929092 C -2.9861593061 -0.0822833707 0.9847475212 C -4.2953296769 0.7026467316 -1.3418174333 C -4.3721449927 -0.0059126014 0.9414515850 C -5.0367803031 0.3804539282 -0.2126584143 H 4.5864061149 -2.0217177438 -0.3112302413 H 4.3916721748 -0.8911131890 1.0310583834 H 5.0473173839 0.2888722277 -1.0654685371 H 3.6201473825 -0.3588519724 -1.8852781173 H 0.4670022721 2.2293633359 0.7147929871 H 1.2029622237 2.7600929621 -0.8013186772 H 2.0781176638 2.9229776006 0.7133669350 H -0.4506814704 0.6218215204 -1.0460272970 H -2.3450934106 0.8784017684 -2.2027174265 H -2.5044712164 -0.3770196066 1.9025953886 H -4.7917929875 1.0099143542 -2.2526716211 H -4.9353794131 -0.2516229121 1.8321547103 H -6.1169044416 0.4328822356 -0.2322599163 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/carborxin/water/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction carborxin CONF11 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/carborxin/water/CONF11/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 carborxin CONF11 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/carborxin/water/CONF11/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point carborxin CONF11 water 0 1