%chk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A2/dimethirimol/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dimethirimol CONF5 water 0 1 O -0.4834802222 2.2696612003 -0.9292316755 N 1.3815044598 1.0980708128 -0.4426179599 N 1.3695028797 -1.1509873575 0.1457686022 N 3.3622916940 0.0197210873 0.0555479938 C -2.1954228753 -0.0239766771 -0.4844174034 C -2.8752420257 0.4122357841 0.8161646196 C -0.7000235352 -0.0311388556 -0.3754998141 C -4.3985807780 0.4316320886 0.7414562856 C 0.0287817766 -1.1368266150 -0.0012750622 C 0.0064849823 1.1846058121 -0.6067443488 C 2.0287341078 -0.0366401668 -0.0754449689 C -5.0253068722 -0.9479417466 0.5956213223 C -0.6528673174 -2.4424873263 0.2715126563 C 4.0938706068 1.2458784879 -0.1942147793 C 4.1365865409 -1.1409035642 0.4449592944 H -2.5038575086 0.6507648260 -1.2872039564 H -2.5492245524 -1.0144473352 -0.7763262309 H -2.5139846214 1.4098986279 1.0796759420 H -2.5610592736 -0.2502581239 1.6298890189 H -4.7881427929 0.9038859140 1.6470686772 H -4.7133823282 1.0690528084 -0.0906605613 H 1.8971888007 1.9530695474 -0.6052785500 H -6.1145051106 -0.8893720286 0.6057340600 H -4.7258707748 -1.6042285306 1.4155732110 H -4.7392017013 -1.4364722265 -0.3367333260 H -1.4380979723 -2.3366245490 1.0213936534 H 0.0600784114 -3.1821210203 0.6270884060 H -1.1261615196 -2.8355310033 -0.6301737601 H 3.7954291553 2.0499281488 0.4815454169 H 5.1500602921 1.0597335774 -0.0248274604 H 3.9867243181 1.5885249890 -1.2256574579 H 4.6787662017 -0.9424084133 1.3700513756 H 3.4879732254 -1.9939888840 0.6017055273 H 4.8603585158 -1.3925993805 -0.3308948681 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A2/dimethirimol/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dimethirimol CONF5 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A2/dimethirimol/water/CONF5/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 dimethirimol CONF5 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/group_A/A2/dimethirimol/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dimethirimol CONF5 water 0 1