%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mecoprop/gas/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization mecoprop CONF2 gas 0 1 Cl -4.1492674738 -0.7013284380 -0.0959563713 O 1.4490232026 0.9829581604 -0.2832231956 O 3.3545155123 -1.9767769086 0.0485714915 O 2.4079360112 -0.7316644844 1.6496652135 C 2.4967279943 0.1174111475 -0.6101769241 C 0.1785999610 0.5162603727 -0.2498198621 C -0.7832350191 1.4373969884 0.1843700327 C -0.1974557235 -0.7645342634 -0.6293460128 C 3.7499020185 0.9634086966 -0.7833506106 C -2.1088427901 1.0394952715 0.2224833128 C -0.3751870562 2.8169382059 0.6033796674 C -1.5321749783 -1.1461843615 -0.5834848635 C -2.4823687288 -0.2416161615 -0.1590816557 C 2.7177581037 -0.8946702532 0.5077314933 H 2.2982339042 -0.4137236402 -1.5497779164 H 3.9899834552 1.4959888843 0.1362253813 H 3.5969041867 1.6938392706 -1.5763727712 H 4.5986861410 0.3388699929 -1.0569731354 H 0.5253815154 -1.4955350450 -0.9658978591 H -2.8628287799 1.7394200505 0.5584744537 H 0.3434721372 2.7867173476 1.4228927951 H 0.0952845155 3.3635716767 -0.2149647464 H -1.2385398706 3.3914894019 0.9346921114 H -1.8172178957 -2.1462244128 -0.8784274175 H 3.5280175560 -2.5708593108 0.7912690294 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mecoprop/gas/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction mecoprop CONF2 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mecoprop/gas/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum mecoprop CONF2 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/mecoprop/gas/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point mecoprop CONF2 gas 0 1