%chk=000076632.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076632

0 1
 O    1.519700       1.856800     -0.3703000    
 O   -2.994600      -1.245600      0.2540000    
 N    3.805100      -2.078900     -0.2264000    
 C   0.5201000     -0.2297000      0.2567000    
 C    1.852800     -0.8106000      0.5960000    
 C   0.4119000       1.079600     -0.2121000    
 C    2.533500      -1.511000     -0.5857000    
 C  -0.6248000      -1.011100      0.4135000    
 C   -1.877700     -0.4832000      0.1015000    
 C  -0.8412000       1.607400     -0.5241000    
 C   -1.985900      0.8260000     -0.3672000    
 C    1.924200       2.643700      0.7482000    
 C   -4.243200     -0.6433000     -8.4200002E-02
 H    1.726900      -1.529300       1.418200    
 H    2.522000     -4.4900000E-02   1.004500    
 H    1.880700      -2.302000     -0.9740000    
 H    2.680500     -0.7954000      -1.403000    
 H  -0.5489000      -2.033400      0.7762000    
 H  -0.9318000       2.626500     -0.8903000    
 H   -2.926600       1.298500     -0.6282000    
 H    4.197700      -2.580400      -1.021800    
 H    3.684400      -2.767800      0.5148000    
 H    1.868900       2.081000       1.685700    
 H    1.292300       3.534500      0.8176000    
 H    2.958600       2.960200      0.5890000    
 H   -4.465000      0.2130000      0.5618000    
 H   -5.022300      -1.390900      9.7499996E-02
 H   -4.290300     -0.3846000      -1.147400    


%chk=000076632-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076632

0 1
O 1.779267 1.525639 0.373039
O -3.096964 -1.284689 0.089275
N 3.876490 -2.195781 -0.237479
C 0.501426 -0.503205 0.482086
C 1.794253 -1.254242 0.743436
C 0.509627 0.913459 0.284580
C 2.633581 -1.463210 -0.546686
C -0.732995 -1.173382 0.403250
C -1.941050 -0.478973 0.137747
C -0.687613 1.612185 0.024744
C -1.921627 0.919368 -0.051096
C 1.834724 2.980443 0.248566
C -4.367107 -0.611801 -0.176210
H 1.563354 -2.243217 1.186268
H 2.430732 -0.703811 1.458081
H 1.989995 -1.961811 -1.311350
H 2.906943 -0.469929 -0.944819
H -0.780737 -2.257225 0.553808
H -0.683584 2.696500 -0.121893
H -2.838036 1.481339 -0.253380
H 4.602996 -2.129601 -0.955296
H 3.729778 -3.160250 0.075884
H 1.233906 3.477423 1.036149
H 1.484433 3.317935 -0.747361
H 2.896290 3.240893 0.374057
H -4.604262 0.131904 0.610618
H -5.124586 -1.409678 -0.170429
H -4.362236 -0.111184 -1.165090


