%chk=000110373.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000110373 0 1 O -1.465400 -0.6687000 0.4174000 O -3.228700 0.6474000 -0.3030000 C 1.937200 4.9199998E-02 -2.3399999E-02 C 0.7935000 -0.5871000 -0.3404000 C -0.5792000 -7.4000000E-03 -0.4782000 C 3.232800 -0.7140000 6.2100001E-02 C 2.065800 1.516900 0.2707000 C -2.756100 -0.2363000 0.3948000 H 0.8437000 -1.658300 -0.5339000 H -0.9211000 -0.1746000 -1.506800 H -0.6075000 1.066800 -0.2813000 H 3.957000 -0.3123000 -0.6543000 H 3.656000 -0.6305000 1.068600 H 3.106100 -1.779500 -0.1567000 H 2.758000 1.981700 -0.4396000 H 1.124400 2.065200 0.2111000 H 2.462700 1.662700 1.281100 H -3.333600 -0.8224000 1.126100 %chk=000110373-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000110373 0 1 O -1.466696 -0.524797 0.557731 O -3.347895 0.357145 -0.532776 C 1.956284 0.051148 -0.018346 C 0.785584 -0.566196 -0.353583 C -0.559491 0.075154 -0.502390 C 3.249636 -0.742937 0.055086 C 2.103540 1.528574 0.297062 C -2.821544 -0.297393 0.390897 H 0.802869 -1.646449 -0.553010 H -1.026148 -0.139718 -1.481627 H -0.555210 1.167278 -0.353809 H 4.009037 -0.329123 -0.637547 H 3.685816 -0.686827 1.071987 H 3.097120 -1.806194 -0.196346 H 2.751727 2.023993 -0.452554 H 1.145519 2.071517 0.327231 H 2.598854 1.659640 1.278609 H -3.363402 -0.796016 1.217684