%chk=000106688.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000106688 0 1 O -0.5873000 -1.887200 2.5200000E-02 O -1.690800 1.483700 0.6741000 O 1.167700 0.1034000 -1.328000 O -1.954400 0.1408000 -1.135900 N 2.874500 0.5210000 0.1511000 C -0.6604000 -0.6718000 0.7548000 C 0.7556000 -0.1828000 1.054000 C 1.584700 0.1580000 -0.1751000 C -1.489500 0.3349000 -2.0199999E-02 H -1.182600 -0.8883000 1.693700 H 0.7188000 0.7106000 1.688900 H 1.296200 -0.9654000 1.601300 H -1.489800 -2.243600 -4.1800000E-02 H 3.202200 0.5566000 1.111100 H 3.544100 0.7705000 -0.5691000 H -2.237400 2.124300 0.1710000 %chk=000106688-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000106688 0 1 O -0.454460 -1.958845 0.237393 O -1.674882 1.498582 0.521711 O 0.894942 0.775810 -1.060446 O -2.085632 -0.175313 -1.049929 N 2.867354 0.269003 0.049657 C -0.644691 -0.667737 0.880037 C 0.722952 -0.054470 1.237445 C 1.491488 0.352493 -0.025080 C -1.504505 0.230826 -0.018650 H -1.215967 -0.814006 1.820880 H 0.564863 0.848834 1.857150 H 1.283564 -0.793108 1.836958 H -0.935418 -1.934817 -0.636034 H 3.340619 -0.125211 0.860312 H 3.418694 0.555396 -0.759525 H -2.217322 2.057263 -0.096779