%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/water/CONF43/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization pyribencarb CONF43 water 0 1 Cl -5.2698354596 0.7225507306 -0.0521327976 O 1.8069251242 -2.8137692700 0.8257124917 O 0.9153882625 2.7764906503 -0.1569315067 O -0.6934144213 2.5570476542 1.4065231836 N -1.1275846177 2.2109006639 -0.7962347247 N 0.6804805518 -2.0378999905 0.7805932622 N 3.9918217264 0.0275473557 0.4101237621 C -2.5946932404 0.3096150439 -0.1505774835 C -1.5962258735 -1.8444713119 0.3790880738 C -1.4869717024 -0.5106368628 -0.0150588913 C -2.4741107187 1.7493939984 -0.5947641050 C -3.8429194590 -0.2488150195 0.1200408835 C -2.8593503323 -2.3687752878 0.6333598870 C -0.3852956153 -2.6817496939 0.5050069579 C -3.9840998025 -1.5698502362 0.5073516389 C -0.5010320052 -4.1576352548 0.3023546208 C 3.2255999993 -0.9881469252 0.0235739323 C 2.9279528551 -1.9999282032 1.0984731842 C 4.3142873295 0.9758112776 -0.4669942215 C 2.7523946333 -1.1177889026 -1.2750744347 C 3.8476019253 0.9467523922 -1.7779451150 C 3.0651158206 -0.1195847619 -2.1843302863 C -0.3279408439 2.5093990883 0.2467101133 C 5.2215362617 2.0707236204 -0.0011244958 C 1.8470922927 3.1815025757 0.8437386557 H -0.5062255778 -0.1209945923 -0.2529473427 H -3.0064302002 1.8837016825 -1.5368054247 H -2.9724424156 2.4003257474 0.1246288866 H -2.9830344725 -3.3989259710 0.9399652901 H -4.9647540631 -1.9781167787 0.7107408898 H -0.6982601943 2.0324982087 -1.6918298726 H -1.1834821461 -4.3775340420 -0.5172103598 H 0.4539419264 -4.6296082833 0.0887114261 H -0.9099429243 -4.6310895866 1.1976699530 H 2.8146701183 -1.4872961926 2.0581253434 H 3.7657697462 -2.6941084200 1.1973538537 H 2.1502582774 -1.9632599029 -1.5765054930 H 4.1009826525 1.7441928250 -2.4638005066 H 2.6990542661 -0.1742706170 -3.2013430791 H 5.0926810599 2.2700879937 1.0612200141 H 6.2657793575 1.7895066994 -0.1559939758 H 5.0522387259 2.9941345851 -0.5531661577 H 1.5054231633 4.0683697130 1.3772103099 H 2.0447232244 2.3825836268 1.5579788904 H 2.7635272319 3.4243422459 0.3140774539 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/water/CONF43/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction pyribencarb CONF43 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/water/CONF43/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 pyribencarb CONF43 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyribencarb/water/CONF43/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point pyribencarb CONF43 water 0 1