%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fenfuram/water/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenfuram CONF2 water 0 1 O 4.0595331857 -0.3686264107 0.0181752480 O 0.3845450444 1.6055677629 -0.0263907338 N -0.5129210089 -0.4855058728 -0.0034015526 C 1.8547401697 -0.2274128881 -0.0106865770 C 3.0217657059 0.4853138194 0.0250883728 C 0.5251478146 0.3884411098 -0.0150386541 C -1.8872074714 -0.2274039851 -0.0023920525 C 2.2283003306 -1.6139715159 -0.0416353840 C 3.3365074973 1.9311991862 0.0688872761 C 3.5730594660 -1.6376641291 -0.0232541788 C -2.7279089385 -1.3432492371 0.0437042794 C -2.4573058532 1.0465432152 -0.0464517579 C -4.1034540881 -1.1932430125 0.0466746126 C -3.8397004896 1.1798380828 -0.0427811304 C -4.6727787686 0.0728470421 0.0037343549 H 1.5914962780 -2.4839727092 -0.0780002800 H -0.2780399928 -1.4658010815 0.0188315424 H 2.9457462730 2.4469318227 -0.8076668791 H 2.8952580775 2.4048585888 0.9452671081 H 4.4130130333 2.0884448270 0.1037491198 H 4.2987363380 -2.4339426544 -0.0358005443 H -2.2991309946 -2.3381114566 0.0769992045 H -1.8449684044 1.9313548784 -0.0836441577 H -4.7315920115 -2.0734841251 0.0832521885 H -4.2637555532 2.1749932080 -0.0767875827 H -5.7476490496 0.1929768951 0.0067719426 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fenfuram/water/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction fenfuram CONF2 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fenfuram/water/CONF2/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 fenfuram CONF2 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/fenfuram/water/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fenfuram CONF2 water 0 1