%chk=000031117.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031117

0 1
 O    1.132900      -1.221200      0.2311000    
 O    1.546000      -1.131100      -2.096600    
 N    3.418600       1.514100      0.5849000    
 C    1.508400      0.9334000     -0.8756000    
 C    1.859400     -0.5644000     -0.8194000    
 C    3.376600     -0.7158000     -0.5234000    
 C    1.971900       1.675400      0.3927000    
 C   1.6000000E-03   1.109000      -1.109300    
 C    3.780700      9.8300003E-02  0.7236000    
 C  -0.8332000      0.1369000     -0.3097000    
 C    3.809400      -2.175800     -0.3197000    
 C  -0.2094000     -0.9606000      0.3029000    
 C    3.867600       2.274900       1.751200    
 C   -2.244300      0.3016000     -0.1896000    
 C  -0.9460000      -1.856000       1.075100    
 C   -2.980900     -0.6270000      0.5903000    
 C   -2.319400      -1.689600       1.218100    
 C   -2.967100       1.347000     -0.8104000    
 C   -4.371300     -0.4842000      0.7330000    
 C   -4.349900       1.474700     -0.6611000    
 C   -5.051400      0.5604000      0.1120000    
 H    2.017900       1.391700      -1.736200    
 H    3.936300     -0.3343000      -1.389300    
 H    1.742000       2.741800      0.2715000    
 H    1.420900       1.328300       1.276300    
 H  -0.2181000      0.9426000      -2.171800    
 H  -0.2767000       2.142000     -0.8708000    
 H    3.321300     -0.3331000       1.623400    
 H    4.868200      1.7700000E-02  0.8496000    
 H    3.294000      -2.635600      0.5301000    
 H    3.613800      -2.785700      -1.205900    
 H    4.885900      -2.231200     -0.1232000    
 H    2.096100      -1.916100      -2.241400    
 H    3.642300       3.339800       1.626200    
 H    4.954400       2.196800       1.866600    
 H    3.396300       1.928800       2.678200    
 H  -0.4562000      -2.694000       1.564700    
 H   -2.870800      -2.407300       1.822300    
 H   -2.462300       2.083900      -1.430900    
 H   -4.941300      -1.192100       1.331900    
 H   -4.875000       2.289300      -1.151300    
 H   -6.126500      0.6568000      0.2305000    


%chk=000031117-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031117

0 1
O 1.181587 -1.257605 0.156060
O 1.631375 -1.074730 -2.192294
N 3.369071 1.500642 0.657811
C 1.525568 0.957116 -0.928499
C 1.952678 -0.521858 -0.887856
C 3.439458 -0.707783 -0.506666
C 1.919435 1.652692 0.393367
C 0.013335 1.061289 -1.228365
C 3.750665 0.074574 0.790371
C -0.814437 0.118360 -0.369925
C 3.850914 -2.190178 -0.379040
C -0.199893 -0.973207 0.260391
C 3.814745 2.307927 1.810044
C -2.236537 0.294050 -0.196490
C -0.924750 -1.883895 1.089361
C -2.982505 -0.623781 0.643528
C -2.290269 -1.706826 1.281571
C -2.959061 1.358482 -0.836691
C -4.392261 -0.437734 0.817286
C -4.335875 1.513826 -0.651588
C -5.063398 0.611568 0.185377
H 2.098433 1.432951 -1.744555
H 4.016738 -0.234548 -1.325263
H 1.693282 2.732046 0.306865
H 1.298652 1.248931 1.233263
H -0.156024 0.828988 -2.297377
H -0.307099 2.108748 -1.070204
H 3.225067 -0.420086 1.646300
H 4.837985 0.023609 0.987784
H 3.243754 -2.705666 0.384024
H 3.745105 -2.737297 -1.336066
H 4.914900 -2.266223 -0.090401
H 1.879004 -2.034474 -2.198965
H 3.574808 3.371842 1.633779
H 4.909988 2.219187 1.924974
H 3.340119 2.002677 2.776821
H -0.375521 -2.707962 1.555042
H -2.854351 -2.398906 1.917358
H -2.425412 2.056011 -1.490186
H -4.939075 -1.140107 1.458278
H -4.865784 2.331914 -1.152503
H -6.141712 0.745538 0.323879


