%chk=000103977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103977

0 1
 O  -0.6780000     -0.7806000      -2.002300    
 O   -2.573900       1.386200      -1.798100    
 O   -1.860600      -2.418200      7.6499999E-02
 O   -4.824300      0.5411000     -0.1434000    
 O   -3.893300       1.935400       2.108800    
 O   0.7066000      -3.009900      0.3099000    
 N    1.330900     -0.8519000      0.8856000    
 N    3.973800       1.480300      0.1464000    
 C   -1.175300     -0.2674000     -0.7594000    
 C   -2.623000      0.1883000      -1.009100    
 C   -1.001700      -1.318400      0.3461000    
 C   -3.448000      0.4821000      0.2526000    
 C   0.4287000      -1.826600      0.4995000    
 C   -3.090500       1.798700      0.9395000    
 C    2.731600      -1.120300       1.114600    
 C    3.574800     -0.9474000     -0.1472000    
 C    3.501900      0.4496000     -0.7703000    
 C    3.483800       2.797900     -0.2628000    
 C    5.436300       1.481100      0.2131000    
 H  -0.5611000      0.6130000     -0.5343000    
 H   -3.139000     -0.5584000      -1.626200    
 H   -1.292800     -0.8954000       1.314500    
 H   -3.399600     -0.3457000      0.9656000    
 H   -2.038100       1.817600       1.237300    
 H   -3.307500       2.659500      0.2994000    
 H    3.068200     -0.4459000       1.908500    
 H    2.839200      -2.145700       1.485500    
 H    4.612000      -1.222900      7.3500000E-02
 H    3.228200      -1.666300     -0.9014000    
 H    1.003000      9.7599998E-02   1.034600    
 H    4.064500      0.4643000      -1.713200    
 H    2.455400      0.6366000      -1.045100    
 H   0.2785000     -0.9231000      -1.902600    
 H   -3.491500       1.637400      -2.000600    
 H   -1.839900      -3.002500      0.8537000    
 H   -5.348300      0.7342000      0.6530000    
 H    2.388300       2.822100     -0.2533000    
 H    3.828100       3.072900      -1.266400    
 H    3.817700       3.568800      0.4407000    
 H    5.823000      0.5374000      0.6098000    
 H    5.784300       2.260500      0.9010000    
 H    5.897400       1.662900     -0.7646000    
 H   -3.643900       2.776500       2.528400    


%chk=000103977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103977

0 1
O -0.229069 -0.503680 -2.035503
O -1.814263 1.943684 -1.501163
O -1.719645 -2.258877 -0.383210
O -4.072225 1.652316 -0.014347
O -3.185891 2.089835 2.459171
O 0.574713 -3.302365 0.345528
N 1.683855 -1.255573 0.549967
N 2.712537 1.159699 -0.275830
C -0.737930 -0.070871 -0.728951
C -2.097622 0.641823 -0.880512
C -0.787875 -1.296843 0.205725
C -2.894147 0.878313 0.423887
C 0.578250 -2.019502 0.365637
C -2.142763 1.700001 1.485007
C 3.028989 -1.860488 0.642165
C 4.089602 -0.738602 0.698554
C 3.933309 0.295624 -0.442911
C 2.255111 1.715181 -1.582746
C 2.925216 2.234653 0.726224
H -0.006102 0.669861 -0.364675
H -2.749469 0.030423 -1.537704
H -1.132709 -1.009483 1.221759
H -3.223283 -0.088872 0.851370
H -1.357174 1.094130 1.979781
H -1.689068 2.593011 1.009999
H 3.092542 -2.511232 1.534429
H 3.200510 -2.513729 -0.237528
H 4.047431 -0.228208 1.680099
H 5.092479 -1.199772 0.627119
H 1.721633 -0.226006 0.302438
H 4.848452 0.927685 -0.521615
H 3.824521 -0.243457 -1.402881
H -0.765551 -1.306826 -2.278545
H -2.692229 2.411222 -1.539719
H -1.282511 -3.154111 -0.230313
H -4.463179 2.051383 0.809295
H 1.939939 0.891727 -2.244764
H 3.048693 2.315996 -2.083256
H 1.373600 2.360957 -1.426756
H 3.211563 1.801474 1.700015
H 1.986957 2.800423 0.862966
H 3.721844 2.950562 0.415074
H -2.823142 2.733917 3.114518


