%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/gas/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization florpyrauxifen CONF4 gas 0 1 Cl 4.9789265788 -0.5238624551 0.1259934316 Cl -5.3154144505 1.1180777892 0.0869916099 F -1.3218176886 -1.4864780634 -1.4435632778 F 0.3090334874 -2.3023311349 0.5606377506 O -3.9677625999 -0.9857973065 -1.4677403992 O 4.3093748310 2.0887956938 -1.2509575756 O 3.2404499851 3.1496276191 0.4024985970 N 1.3479958459 1.0575367091 -0.0806170161 N 2.9850444368 -2.6956241274 0.5754881775 C -0.8944763244 0.2514441485 0.0814080684 C 0.5593015799 0.0007021300 0.0807510651 C -1.7798483643 -0.5023212595 -0.6704093045 C 1.0956029480 -1.2500893739 0.3030375700 C -1.4081455829 1.3194544266 0.8133859514 C 2.4739204442 -1.4717039175 0.3172008846 C -3.1483166664 -0.2527193649 -0.6896885143 C 2.6564308428 0.8964019292 -0.0826600807 C 3.2648441487 -0.3381272563 0.0928251096 C -2.7618514886 1.5922679544 0.8248847409 C -3.6261704476 0.7974691408 0.0861372227 C 3.4277159493 2.1720243074 -0.2585008071 C -4.4541608128 -2.1740200358 -0.8658458074 H -0.7259923157 1.9412716633 1.3764236168 H -3.1516750342 2.4158861666 1.4055594815 H 2.3821067422 -3.4965086835 0.5539904736 H 3.9632043526 -2.8595329704 0.4242395799 H -3.6467857108 -2.8748639124 -0.6382258561 H -5.1270052965 -2.6370413216 -1.5841206846 H -5.0106548032 -1.9639422943 0.0513095098 H 4.7755787666 2.9331385752 -1.3199080369 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/gas/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction florpyrauxifen CONF4 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/gas/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum florpyrauxifen CONF4 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/gas/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point florpyrauxifen CONF4 gas 0 1