%chk=000127628.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127628

0 1
 O   -1.132400      -1.583600      0.4429000    
 O  -0.9743000      0.1977000       1.951000    
 O    4.679700      -1.158300      -2.012100    
 O    1.991000      -3.388700       2.345700    
 O  -0.1753000      -3.100700       2.139100    
 N    1.002900      -2.855200       1.788200    
 C   -4.021500     -0.3704000      0.8612000    
 C   -3.811100     -0.6579000     -0.6186000    
 C   -3.849700       1.141300      0.9057000    
 C   -3.567600      0.5423000      -1.324000    
 C   -3.591400       1.646200     -0.3887000    
 C   -3.022900      -1.101600       1.749400    
 C   -3.852800      -1.879300      -1.271200    
 C   -3.936000       1.984000       2.002000    
 C   -3.354000      0.5248000      -2.692800    
 C   -3.407700       3.004200     -0.5923000    
 C   -1.598100     -0.7168000       1.429700    
 C   -3.637500      -1.896400      -2.650300    
 C   -3.750600       3.352400       1.796500    
 C   -3.389600     -0.7062000      -3.354200    
 C   -3.488200       3.857400      0.5121000    
 C   0.1863000      -1.319600      6.5200001E-02
 C    1.226100      -1.940500      0.7222000    
 C   0.3912000     -0.4322000     -0.9702000    
 C    2.770600     -0.7675000     -0.7186000    
 C    2.534000      -1.661400      0.3258000    
 C    1.699100     -0.1530000      -1.366600    
 C    4.133700     -0.4754000      -1.132800    
 C    4.931200      0.6378000     -0.5351000    
 C    4.350200       1.411600      0.4421000    
 C    6.213700      0.8438000     -0.9867000    
 C    5.094500       2.451100      0.9999000    
 C    6.958000       1.883300     -0.4289000    
 C    6.398500       2.686900      0.5644000    
 H   -5.053400     -0.6234000       1.132000    
 H   -3.193600     -0.8652000       2.806900    
 H   -3.130600      -2.189900       1.666100    
 H   -4.047400      -2.800000     -0.7323000    
 H   -4.142400       1.598700       2.994400    
 H   -3.162800       1.435600      -3.250300    
 H   -3.206200       3.409500      -1.578200    
 H   -3.662400      -2.840800      -3.187500    
 H   -3.810900       4.036500       2.638800    
 H   -3.224600     -0.7443000      -4.427700    
 H   -3.347600       4.926600      0.3765000    
 H  -0.4394000      4.7499999E-02  -1.476500    
 H    3.388200      -2.126500      0.8132000    
 H    1.871200      0.5451000      -2.181800    
 H    3.340200       1.259000      0.8063000    
 H    6.670500      0.2322000      -1.758200    
 H    4.659200       3.077100       1.773400    
 H    7.973400       2.067200     -0.7678000    
 H    6.978000       3.496300      0.9986000    


%chk=000127628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127628

0 1
O -1.032587 -1.358490 0.440789
O -1.167051 0.374380 2.020997
O 4.420061 -0.342609 -2.748509
O 2.353302 -1.232168 3.099335
O 0.283062 -2.108394 2.751132
N 1.335597 -1.481887 2.345417
C -4.166720 -0.557586 0.799878
C -3.930566 -0.709636 -0.705906
C -4.338761 0.956473 0.955423
C -3.975726 0.567372 -1.341326
C -4.234422 1.596751 -0.315242
C -3.064291 -1.192347 1.716474
C -3.706053 -1.875255 -1.457016
C -4.582371 1.707734 2.116949
C -3.787690 0.679733 -2.736751
C -4.382780 2.996261 -0.427360
C -1.689808 -0.610507 1.482306
C -3.516367 -1.763644 -2.857761
C -4.728763 3.113179 2.005638
C -3.556077 -0.495194 -3.490401
C -4.631554 3.749872 0.743264
C 0.280752 -1.032216 0.061915
C 1.410403 -1.052622 0.927374
C 0.466763 -0.710926 -1.302217
C 2.869214 -0.373501 -0.923767
C 2.689233 -0.708501 0.435435
C 1.744029 -0.403282 -1.794070
C 4.221241 -0.076118 -1.521226
C 5.313475 0.521274 -0.685868
C 5.056962 1.358831 0.434732
C 6.658236 0.289865 -1.086702
C 6.128326 1.940851 1.146039
C 7.725382 0.859381 -0.366316
C 7.462834 1.685720 0.754126
H -5.111184 -1.068967 1.081284
H -3.327555 -1.008595 2.772025
H -3.026482 -2.280781 1.544101
H -3.662868 -2.858609 -0.975272
H -4.651581 1.226776 3.099437
H -3.822520 1.655993 -3.233123
H -4.307507 3.495687 -1.399830
H -3.339434 -2.663675 -3.456952
H -4.914565 3.713680 2.902834
H -3.411261 -0.426991 -4.574525
H -4.746965 4.837455 0.676417
H -0.415739 -0.705687 -1.949388
H 3.531227 -0.750120 1.131139
H 1.899426 -0.177386 -2.853507
H 4.027469 1.585188 0.730842
H 6.838228 -0.335915 -1.967030
H 5.922248 2.592873 2.001411
H 8.758506 0.665478 -0.673976
H 8.292671 2.132100 1.313228


