%chk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF19/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Dimethametryn/ CONF19 water 0 1 S -1.6971356556 2.5887440948 -0.4060929462 N 1.7301910651 -0.9889924088 -0.3884244292 N -0.3916872296 -1.5559563633 0.2094637327 N 0.1353672908 0.6734108803 -0.3965162498 N -2.5283049769 -2.0628001623 0.8136766885 N -2.0806298012 0.1089842062 0.2000358256 C 3.7511525699 0.1173221396 0.5308276555 C 2.8533411356 -0.1206122870 -0.6965966614 C 2.9982142765 0.8330649823 1.6451981952 C 4.4000470979 -1.1574783818 1.0576637682 C 3.6200508309 -0.6809890404 -1.8870052530 C 0.4646857349 -0.6123120535 -0.1798339586 C -1.6490613552 -1.1469731958 0.3860405386 C -1.1319126040 0.9474953350 -0.1816600493 C -3.9607231279 -1.8668505196 0.8828271898 C -4.6721972824 -2.1019777932 -0.4380225023 C -0.1967418220 3.4744668239 -0.8631660845 H 4.5492752782 0.7834336040 0.1852961273 H 2.4365985536 0.8435482405 -0.9852449583 H 2.5667864312 1.7749736933 1.3012075784 H 2.1881245967 0.2188334113 2.0450055987 H 3.6682626976 1.0632599567 2.4756634025 H 5.0068873129 -1.6593518284 0.3031424177 H 5.0567477254 -0.9294122583 1.8985291429 H 3.6558919657 -1.8711958217 1.4181116750 H 4.4983395795 -0.0697096183 -2.0979375143 H 3.9605334452 -1.7029769995 -1.7126168758 H 2.9953050538 -0.6867172522 -2.7804028732 H 1.9382559219 -1.9564887449 -0.1892418900 H -2.1921572064 -3.0128390524 0.8391314600 H -4.3434675335 -2.5548556519 1.6364668100 H -4.1617967510 -0.8626468171 1.2491368355 H -4.3180740081 -1.4186469006 -1.2100201822 H -4.5198732328 -3.1219536423 -0.7922671493 H -5.7455119325 -1.9473770991 -0.3207163355 H -0.4908500042 4.5149801778 -0.9947007522 H 0.2191212669 3.1101876814 -1.7989266998 H 0.5543406509 3.4233898442 -0.0788701158 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF19/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Dimethametryn/ CONF19 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF19/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 Dimethametryn/ CONF19 water 0 1 --Link1-- %oldchk=/home/davidvar/Almacen/Triazines/Dimethametryn/gaussian/water/CONF19/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Dimethametryn/ CONF19 water 0 1