%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization florpyrauxifen CONF1 gas 0 1 Cl 4.9882154188 -0.5519885620 0.1691462324 Cl -5.3059432560 1.1134938027 0.0366369960 F -1.3011822730 -1.5088325120 -1.4344709194 F 0.3209585459 -2.2936003950 0.5949037606 O -3.9473864977 -1.0050776838 -1.4866391276 O 2.8004357558 3.2387744872 0.0208139107 O 4.5637930410 2.1624751293 -0.8191180665 N 1.3593441522 1.0528429883 -0.0896582051 N 2.9942381556 -2.6790109818 0.6471601400 C -0.8841312337 0.2510807383 0.0674579432 C 0.5701525323 0.0016510828 0.0815530318 C -1.7645647284 -0.5137935522 -0.6786866110 C 1.1075363408 -1.2440688792 0.3306812604 C -1.4029638404 1.3294664716 0.7800651298 C 2.4851253435 -1.4592014686 0.3619001422 C -3.1331133588 -0.2647932808 -0.7107364268 C 2.6719333397 0.9044366891 -0.0748053920 C 3.2830635853 -0.3298319963 0.1255418199 C -2.7567862036 1.6014627355 0.7801119949 C -3.6163995051 0.7952262933 0.0482675397 C 3.4670777632 2.1468743340 -0.3352149499 C -4.4255618381 -2.1975139978 -0.8871462811 H -0.7240558917 1.9597709634 1.3373622076 H -3.1505736154 2.4328212773 1.3469683647 H 2.3933905833 -3.4812927995 0.6126988098 H 3.9732717300 -2.8415895989 0.4977108400 H -4.9908623181 -1.9923714169 0.0265236256 H -3.6130697602 -2.8913298850 -0.6537919730 H -5.0892625223 -2.6672725336 -1.6103362629 H 3.3455243713 4.0032513221 -0.2069936403 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction florpyrauxifen CONF1 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum florpyrauxifen CONF1 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point florpyrauxifen CONF1 gas 0 1