%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mecoprop/gas/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization mecoprop CONF3 gas 0 1 Cl -4.1523791920 -0.6951220728 -0.1700717391 O 1.4552464515 0.9657376500 -0.2672923858 O 2.3875542651 -0.5817986159 1.6785347076 O 3.2262153498 -2.0450112739 0.2105099388 C 2.5035766149 0.0951783656 -0.5945937325 C 0.1818250477 0.5066233906 -0.2601323285 C -0.7867850354 1.4410569461 0.1295752774 C -0.1897459986 -0.7823682107 -0.6177271410 C 3.7649787135 0.9330439734 -0.7393807209 C -2.1140726997 1.0473598276 0.1489109334 C -0.3864729460 2.8319485683 0.5181705839 C -1.5267789753 -1.1588042554 -0.5907693316 C -2.4832472174 -0.2420755572 -0.2084652927 C 2.7347965690 -0.9796372865 0.4600303322 H 2.3120306332 -0.4212760658 -1.5427264549 H 4.0101490345 1.4428574193 0.1916859989 H 3.6251638743 1.6828947146 -1.5166419660 H 4.6048066525 0.3010244319 -1.0229916113 H 0.5366039068 -1.5227900372 -0.9248085180 H -2.8732900750 1.7584443787 0.4476552747 H -1.2585385388 3.4221533718 0.7944091878 H 0.2986043012 2.8281753622 1.3665212820 H 0.1200755548 3.3475869187 -0.2982839174 H -1.8080905212 -2.1645099274 -0.8695862679 H 2.5722950958 -1.2993751647 2.2994398291 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mecoprop/gas/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction mecoprop CONF3 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mecoprop/gas/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum mecoprop CONF3 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mecoprop/gas/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point mecoprop CONF3 gas 0 1