%chk=000156674.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000156674 0 1 O 2.553300 -7.2099999E-02 0.3646000 O -1.536300 2.439300 -3.2900002E-02 O -1.588300 -2.334000 -5.5700000E-02 O 1.038000 -2.341400 0.2401000 C 0.4847000 1.179600 0.1411000 C -1.720700 5.0799999E-02 -7.7500001E-02 C -0.9787000 1.172500 2.0000001E-03 C 1.187900 3.0500000E-02 0.2240000 C -1.016600 -1.254400 1.1000000E-03 C 0.4705000 -1.260800 0.1639000 C 1.126600 2.549100 0.1788000 C -3.209400 -3.6899999E-02 -0.2506000 C 3.189100 -0.1223000 -0.8989000 H 2.195300 2.484500 0.4114000 H 0.6820000 3.178800 0.9572000 H 1.045000 3.050300 -0.7914000 H -3.663500 -0.5614000 0.5966000 H -3.457800 -0.5755000 -1.170900 H -3.670500 0.9539000 -0.3125000 H -1.021000 2.997500 -0.6375000 H 2.870500 -0.9994000 -1.472700 H 4.267700 -0.2026000 -0.7338000 H 3.004400 0.7899000 -1.476800 %chk=000156674-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000156674 0 1 O 2.559091 0.444083 -0.161393 O -1.854487 2.364625 0.230785 O -1.527872 -2.316738 -0.636726 O 1.238507 -2.161631 -0.379089 C 0.380327 1.367681 -0.007486 C -1.781591 0.032371 -0.170569 C -1.085346 1.217620 0.018904 C 1.181505 0.252539 -0.201450 C -1.008048 -1.181396 -0.394564 C 0.558457 -1.098653 -0.336054 C 0.988089 2.739817 0.194459 C -3.290397 -0.025456 -0.159810 C 3.506530 -0.553046 -0.716073 H 2.081389 2.681067 0.096400 H 0.772034 3.143998 1.204401 H 0.626190 3.469430 -0.558737 H -3.695592 0.253638 0.830497 H -3.620806 -1.047667 -0.402957 H -3.724742 0.679878 -0.891047 H -1.289789 3.169356 0.353592 H 3.568770 -1.437200 -0.065097 H 4.465058 -0.012595 -0.748127 H 3.204922 -0.865821 -1.730260