%chk=000066295.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000066295 0 1 O 1.905400 1.180600 -0.2202000 C 0.9513000 -1.029400 -0.1983000 C 1.971700 -8.6099997E-02 0.4234000 C -0.4137000 -0.4916000 -9.2900001E-02 C -1.528800 -5.3800002E-02 -8.0000004E-03 C -2.885800 0.4803000 9.6000001E-02 H 1.188100 -1.177300 -1.258600 H 1.008500 -2.007200 0.2917000 H 1.771300 6.7000002E-02 1.488900 H 2.986800 -0.4813000 0.3173000 H 2.109500 1.042000 -1.160900 H -3.342600 0.5779000 -0.8933000 H -3.518400 -0.1786000 0.6984000 H -2.880200 1.468300 0.5662000 %chk=000066295-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000066295 0 1 O 2.101774 1.232266 -0.214717 C 0.944495 -1.012804 -0.213343 C 2.018933 -0.087421 0.416335 C -0.433366 -0.500043 -0.106770 C -1.583744 -0.062761 -0.011693 C -2.952513 0.465497 0.106107 H 1.198707 -1.189369 -1.280221 H 1.013485 -2.001623 0.285641 H 1.769664 0.124329 1.468345 H 3.000855 -0.607906 0.377605 H 2.214492 1.118332 -1.192423 H -3.439212 0.542115 -0.883753 H -3.581649 -0.184906 0.741545 H -2.948822 1.475094 0.557042