%chk=000076247.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000076247 0 1 O 0.8748000 -1.081900 3.3300001E-02 O -1.169100 -1.992300 1.8400000E-02 O 2.951500 -0.2334000 -3.0400001E-02 C -1.106000 0.4075000 -1.0600000E-02 C -0.1654000 1.414100 0.6407000 C 1.192600 1.353600 -8.1000002E-03 C -1.416400 0.7503000 -1.475300 C -2.421900 0.3952000 0.7890000 C -0.4771000 -0.9737000 3.0400001E-02 C 1.736900 -3.9400000E-02 1.2700000E-02 H -5.7900000E-02 1.188700 1.710600 H -0.5668000 2.432200 0.5684000 H 1.879700 1.998900 0.5510000 H 1.170100 1.706500 -1.043500 H -1.791400 1.775000 -1.571100 H -0.5362000 0.6470000 -2.118700 H -2.178600 7.5700000E-02 -1.883200 H -2.880200 1.390300 0.8119000 H -3.152300 -0.2960000 0.3526000 H -2.254000 7.5199999E-02 1.824100 %chk=000076247-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000076247 0 1 O 0.894662 -1.117073 -0.044377 O -1.170186 -2.068387 0.191962 O 3.012791 -0.278819 -0.265503 C -1.147904 0.403656 0.021415 C -0.164302 1.410544 0.679050 C 1.232991 1.386857 0.035577 C -1.390558 0.739401 -1.484014 C -2.498599 0.405993 0.776946 C -0.544312 -1.008170 0.081682 C 1.816159 -0.011929 -0.102328 H -0.080963 1.179666 1.758605 H -0.591511 2.427043 0.598670 H 1.959572 1.984674 0.612462 H 1.210313 1.828939 -0.979412 H -1.787890 1.767104 -1.570682 H -0.471221 0.669528 -2.091593 H -2.131625 0.044519 -1.915376 H -2.974947 1.399058 0.685161 H -3.181618 -0.354280 0.363779 H -2.358550 0.185177 1.850179