%chk=000025112.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025112

0 1
 O    2.155300       1.131500      -1.128700    
 N   0.8527000      0.8934000      0.7788000    
 C   -2.086000      0.3536000      0.4333000    
 C   -1.287500       1.417900     -0.3270000    
 C   -3.310500     -9.5200002E-02 -0.3681000    
 C  -9.1899998E-02   1.931500      0.4694000    
 C   -4.162500      -1.137900      0.3589000    
 C    2.760400     -0.5538000      0.5007000    
 C   -5.418000      -1.534700     -0.4021000    
 C    1.914900      0.5753000     -6.0600001E-02
 C    3.930400     -0.9141000     -0.4101000    
 C    4.742700      -2.067600      0.1554000    
 H   -1.454700     -0.5182000      0.6411000    
 H   -2.409900      0.7582000       1.399800    
 H  -0.9432000      0.9999000      -1.281100    
 H   -1.941300       2.265700     -0.5642000    
 H   -2.984600     -0.5065000      -1.331600    
 H   -3.933700      0.7797000     -0.5923000    
 H  -0.4242000       2.363000       1.419700    
 H   0.4141000       2.721100     -9.6799999E-02
 H   -3.559000      -2.034600      0.5431000    
 H   -4.456400     -0.7461000       1.340000    
 H   0.7292000      0.3752000       1.643900    
 H    3.132300     -0.2477000       1.485700    
 H    2.112100      -1.427000      0.6413000    
 H   -6.065100     -0.6674000     -0.5669000    
 H   -5.163800      -1.963800      -1.376500    
 H   -5.985200      -2.281300      0.1624000    
 H    4.582000     -4.2399999E-02 -0.5437000    
 H    3.559800      -1.188100      -1.405100    
 H    5.156200      -1.812300       1.136300    
 H    4.125800      -2.965200      0.2653000    
 H    5.576000      -2.307700     -0.5124000    


%chk=000025112-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025112

0 1
O 2.348785 1.116210 -1.298175
N 0.885339 0.591061 0.435779
C -2.233982 0.342284 0.386091
C -1.364293 1.267241 -0.494534
C -3.571249 -0.048622 -0.283696
C -0.038459 1.708186 0.170331
C -4.445981 -0.976792 0.589490
C 2.831436 -0.884020 0.047485
C -5.780436 -1.357878 -0.087701
C 2.015991 0.357095 -0.335736
C 4.349188 -0.585349 0.104577
C 5.191203 -1.860984 0.311208
H -1.670324 -0.584306 0.625154
H -2.443646 0.845011 1.354505
H -1.131660 0.765488 -1.454080
H -1.941506 2.181147 -0.744106
H -3.362684 -0.546719 -1.253415
H -4.142565 0.872130 -0.525056
H -0.251287 2.233541 1.122800
H 0.505458 2.401954 -0.494081
H -3.874868 -1.897492 0.827983
H -4.651296 -0.478230 1.559009
H 0.667042 -0.058795 1.192245
H 2.485850 -1.311824 1.009885
H 2.651451 -1.652860 -0.731135
H -6.384385 -0.457157 -0.307075
H -5.602893 -1.882730 -1.045370
H -6.386527 -2.022804 0.554745
H 4.550180 0.136845 0.920130
H 4.632763 -0.081822 -0.837476
H 4.928479 -2.372463 1.256999
H 5.031226 -2.579488 -0.515106
H 6.270049 -1.623457 0.346226


