%chk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dimethomorph_Z CONF4 water 0 1 Cl -6.7448969961 0.3392413080 -0.4208745972 O 3.7653213265 -2.6083950696 -2.0303204851 O 1.2572977031 -2.5554553418 2.1436417678 O 3.0281288446 2.0722593409 1.7769236131 O 2.8296752364 3.6036096495 -0.2843561679 N 1.9033440660 -2.0798624574 0.0303643691 C 1.6540402450 -1.6338216225 -1.3284069801 C 3.3201072772 -2.2296995104 0.3234660706 C 2.3821872360 -2.5351431188 -2.3083941723 C 3.9873381893 -3.0992304300 -0.7236834113 C 0.9860674428 -2.1534067680 1.0096192197 C -0.8765824841 -0.5642557281 0.3900044532 C -0.4264465837 -1.7856358699 0.7164075781 C 0.0310574376 0.5890651669 0.2304950925 C -2.3215601738 -0.3391760561 0.1723871778 C 1.0620145080 0.8098509534 1.1513985524 C -0.0793432175 1.4317619135 -0.8647721254 C 1.9918664098 1.8118190753 0.9515992065 C -2.9240358937 0.8500999420 0.5839861526 C -3.1178197650 -1.3072678469 -0.4394261557 C 1.8840767703 2.6493852441 -0.1766677427 C 0.8417221326 2.4544885391 -1.0682560513 C -4.2817089954 1.0631889699 0.4112584726 C -4.4761517294 -1.1076286101 -0.6231751552 C -5.0482555561 0.0790116274 -0.1927393601 C 3.2174830905 1.2176653057 2.8898673493 C 2.7616933727 4.4879206288 -1.3879820306 H 1.9969573673 -0.6008057886 -1.4472207969 H 0.5910508772 -1.6647590129 -1.5542185768 H 3.4599839556 -2.6762782374 1.3041624801 H 3.7847319291 -1.2370150678 0.3380796018 H 1.9327268972 -3.5369280428 -2.2927152031 H 2.2699282214 -2.1333781428 -3.3159543390 H 5.0646727923 -3.1076225700 -0.5550084746 H 3.6239939514 -4.1313658571 -0.6340089457 H -1.1355871843 -2.5827503752 0.9131208608 H 1.1138304789 0.1978090522 2.0413850812 H -0.8674783644 1.2857787024 -1.5918011626 H -2.3329680007 1.6214595334 1.0601097853 H -2.6728428102 -2.2261493678 -0.7988593736 H 0.7342992135 3.0866301620 -1.9390559243 H -4.7327436218 1.9870015094 0.7468095452 H -5.0753183098 -1.8668512021 -1.1068929011 H 2.3866451862 1.2777742433 3.5973016288 H 4.1237523698 1.5548312734 3.3873113577 H 3.3483357363 0.1748843226 2.5853745758 H 1.8324756242 5.0628555536 -1.3929353040 H 2.8586473760 3.9597306264 -2.3395459950 H 3.5973257464 5.1756265367 -1.2829362614 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dimethomorph_Z CONF4 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF4/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 dimethomorph_Z CONF4 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/dimethomorph_Z/gaussian/water/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dimethomorph_Z CONF4 water 0 1