%chk=/home/apulgar/almacen/pesticidas/H/flumorph_E/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization flumorph_E CONF3 water 0 1 F 2.2550341853 4.4868079370 -0.7478968345 O 4.9456927873 -2.0700971354 -1.3192723854 O 2.2779743732 -1.4867870561 2.6765592282 O -4.6430821509 1.4648149727 0.1782195203 O -5.6164351461 -0.7852785064 -0.5954866578 N 2.9405104541 -1.3075990713 0.5212045948 C 2.6905653248 -1.2677809178 -0.9094253241 C 4.3505623060 -1.1747266925 0.8538846800 C 3.5799469571 -2.2728973308 -1.6176459547 C 5.1749166521 -2.1771800357 0.0710616798 C 2.0019896113 -1.3896075766 1.4781835339 C -0.1161966220 -0.4088071652 0.5220655744 C 0.5671215465 -1.4153052971 1.0839845113 C -1.5533206728 -0.5487197240 0.2092074391 C 0.5219526071 0.8857192949 0.1950863268 C -2.4038906393 0.5586462606 0.3380528701 C -2.0905056848 -1.7556469787 -0.2108674051 C -3.7549953544 0.4534234063 0.0714126485 C 1.2679503596 1.5839825909 1.1422524889 C 0.3711011464 1.4380904748 -1.0780636065 C -4.2912787017 -0.7810693158 -0.3479836746 C -3.4501555337 -1.8724517695 -0.4847972437 C 1.8625315915 2.7982847898 0.8312420472 C 0.9629319844 2.6453740542 -1.4084484648 C 1.6956963922 3.3066278026 -0.4410467681 C -4.1550327257 2.7404960413 0.5496216696 C -6.2083061197 -1.9972323911 -1.0264415185 H 2.8884328285 -0.2608401038 -1.2897282693 H 1.6532912214 -1.5095115031 -1.1260065761 H 4.5051111944 -1.3321574477 1.9180449769 H 4.6747380119 -0.1557773512 0.6173992230 H 3.2741634252 -3.2917532261 -1.3445513662 H 3.4586759142 -2.1648238157 -2.6961412615 H 6.2353193095 -1.9908789813 0.2453325331 H 4.9504177106 -3.1937866298 0.4206349237 H 0.0423612645 -2.3105343761 1.4004956525 H -1.9899743714 1.5021479353 0.6675636794 H -1.4525813422 -2.6182981859 -0.3522829035 H 1.3733924405 1.1938295914 2.1462491689 H -0.2097225552 0.9151536997 -1.8269877577 H -3.8342197399 -2.8261901598 -0.8198741481 H 2.4337563367 3.3418054106 1.5721247469 H 0.8516834478 3.0671218380 -2.3986243438 H -3.7128819401 2.7337757313 1.5490608352 H -5.0120081117 3.4097271943 0.5511244466 H -3.4162986806 3.1174434246 -0.1624095573 H -6.1048759271 -2.7889930425 -0.2805792008 H -5.7863132891 -2.3426482056 -1.9733548377 H -7.2657197914 -1.7887522202 -1.1706890212 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_E/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction flumorph_E CONF3 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_E/gaussian/water/CONF3/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 flumorph_E CONF3 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/H/flumorph_E/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point flumorph_E CONF3 water 0 1