%chk=000074776.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074776

0 1
 O    3.227600      0.1668000     -0.4262000    
 O   -1.862200      -3.236100     -9.2900001E-02
 O    2.820900      -1.816500      0.6693000    
 O   -3.578900      -1.747400     -0.1510000    
 O   -2.225600       3.063300     -4.9999999E-03
 O  -0.1000000       3.599800      0.1078000    
 N   -1.013900       2.742000      4.8500001E-02
 C    1.015800     -0.3681000      9.5700003E-02
 C   -1.323600     -0.9584000     -2.8500000E-02
 C  -0.6662000       1.365300      4.2300001E-02
 C   1.6899999E-02  -1.339500      3.0700000E-02
 C   0.6743000      0.9843000      0.1015000    
 C   -1.665200      0.3940000     -2.2600001E-02
 C    2.413600     -0.7658000      0.1565000    
 C   -2.365300      -1.971300     -9.5600002E-02
 C    4.631700     -0.1125000     -0.4305000    
 H   0.3103000      -2.386200      2.3800001E-02
 H    1.457200       1.736200      0.1668000    
 H   -2.714800      0.6751000     -6.9100000E-02
 H    5.003000     -0.1932000      0.5954000    
 H    5.142500      0.7174000     -0.9260000    
 H    4.831200      -1.032800     -0.9874000    
 H   -2.572300      -3.911400     -0.1389000    


%chk=000074776-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074776

0 1
O 3.330820 0.270533 -0.159690
O -1.948253 -3.304218 0.042341
O 2.832120 -2.007357 -0.098075
O -3.663864 -1.734285 0.093033
O -2.316487 3.089315 -0.005440
O -0.109975 3.661899 -0.066117
N -1.062827 2.794017 -0.035383
C 1.028219 -0.363630 -0.070268
C -1.343145 -0.983354 0.009677
C -0.687256 1.348902 -0.033946
C 0.020396 -1.357181 -0.029227
C 0.678362 1.006499 -0.073499
C -1.709351 0.383911 0.007575
C 2.456672 -0.811546 -0.110703
C -2.440495 -1.994667 0.053085
C 4.776817 -0.074691 -0.201460
H 0.306484 -2.412642 -0.027162
H 1.443617 1.784871 -0.105729
H -2.761872 0.679400 0.037925
H 5.053717 -0.643371 0.701388
H 5.290690 0.894877 -0.238397
H 4.993089 -0.679905 -1.097047
H -2.710478 -3.942377 0.071720


