%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fluoxastrobin_E/water/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fluoxastrobin_E CONF26 water 0 1 F 2.5411381150 -0.8280879686 -0.1547472555 O 1.0003853018 1.8555760795 -1.4146248845 O -0.0005353835 -1.7488885328 -0.0114599630 O 0.6827029334 0.3350174369 -3.6849171174 O -1.7798714346 1.6010732426 1.3838983121 O 3.6177117170 0.3569538854 2.1015162235 N -0.2012954262 0.2588713793 -2.6421809510 N -0.8972437181 1.7798200685 0.3834806042 N -0.1874490379 -1.0316169897 2.1767250150 N 1.6275249305 0.0199020729 3.1738616687 C -1.8539777828 -0.3035488414 -0.4788754496 C -1.3575838778 -1.5758210933 -0.2176694795 C -0.9371928409 0.8575171108 -0.4972543908 C 0.0169981939 0.9792749109 -1.6095869218 C 1.7822538446 2.1413817969 -2.5762273610 C -3.2152556659 -0.1555820189 -0.7156719087 C 1.9584506534 0.8699908232 -3.3591772505 C -2.1778982122 -2.6871685547 -0.2151672386 C -4.0520179433 -1.2615441687 -0.7157333530 C -3.5319328158 -2.5251706103 -0.4733540068 C 0.5530219072 -1.1510083398 1.0594854320 C 1.8370343751 -0.7141487771 0.9736865504 C 2.4755121909 -0.0779990758 2.0814214718 C 0.3685216977 -0.4385317608 3.1811494578 C -1.6098282007 2.5935583224 2.3855822148 H 2.7370922234 2.5321130879 -2.2309280383 H 1.2805301892 2.9077150710 -3.1712342311 H -3.6165571380 0.8286958185 -0.9193018711 H 2.4670902957 1.0573958274 -4.3035102910 H 2.5390602135 0.1400271655 -2.7864160347 H -1.7625173023 -3.6660135507 -0.0142700210 H -5.1083785536 -1.1361328931 -0.9103303505 H -4.1811696215 -3.3903731891 -0.4745408524 H 1.9891106601 0.4697537158 4.0091065989 H -0.1842824850 -0.3032695300 4.1003358547 H -2.3514843538 2.3731523462 3.1496581479 H -0.6141878713 2.5493655930 2.8309678454 H -1.7881875567 3.5957381332 1.9908604415 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fluoxastrobin_E/water/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction fluoxastrobin_E CONF26 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fluoxastrobin_E/water/CONF26/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 fluoxastrobin_E CONF26 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fluoxastrobin_E/water/CONF26/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fluoxastrobin_E CONF26 water 0 1