%chk=000013717.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013717

0 1
 O   0.7675000       1.710300      0.1749000    
 N    4.833700     -0.2033000      0.1258000    
 N  -0.6018000       1.637100      0.3999000    
 C    2.619000      0.4683000     -0.7248000    
 C    3.406600     -0.1360000      0.4384000    
 C    1.148100      0.5641000     -0.4065000    
 C   0.1219000     -0.2822000     -0.5897000    
 C  -0.9649000      0.4383000     -6.4999998E-02
 C    5.063400      -1.068700      -1.030500    
 C    5.588200     -0.6847000       1.282500    
 C   -2.336100      8.7000001E-03  1.6000000E-03
 C   -2.634300      -1.346900      0.1252000    
 C   -3.362500      0.9495000     -5.7799999E-02
 C   -3.963900      -1.763500      0.1893000    
 C   -4.692200      0.5327000      6.5000001E-03
 C   -4.992800     -0.8238000      0.1301000    
 H    2.699700     -0.1396000      -1.632500    
 H    3.002100       1.467200     -0.9688000    
 H    3.007900      -1.128200      0.6911000    
 H    3.256200      0.4970000       1.323200    
 H   0.1455000      -1.265400      -1.036300    
 H    4.718300     -0.6083000      -1.961000    
 H    4.592900      -2.052400     -0.9186000    
 H    6.138400      -1.230300      -1.177500    
 H    6.662800     -0.6871000       1.068400    
 H    5.292700      -1.698400       1.576700    
 H    5.443600     -2.0000000E-02   2.141500    
 H   -1.854500      -2.102100      0.1840000    
 H   -3.160000       2.012600     -0.1625000    
 H   -4.198400      -2.819400      0.2877000    
 H   -5.493800       1.263900     -4.1400000E-02
 H   -6.028100      -1.148100      0.1802000    


%chk=000013717-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013717

0 1
O 0.872305 1.340844 0.313591
N 4.961088 -0.200281 0.011410
N -0.567153 1.362452 0.574755
C 2.609779 0.023635 -0.849598
C 3.531712 -0.148346 0.388952
C 1.172376 0.217154 -0.476286
C 0.002091 -0.474436 -0.726587
C -1.052107 0.261339 -0.065167
C 5.341035 -1.447936 -0.681714
C 5.848993 0.079479 1.159911
C -2.497260 -0.042398 -0.018874
C -3.017944 -1.196434 -0.662420
C -3.391183 0.821398 0.673047
C -4.399452 -1.481831 -0.616197
C -4.769483 0.534029 0.717649
C -5.281212 -0.618476 0.073515
H 2.673437 -0.856495 -1.513151
H 2.980383 0.896195 -1.419967
H 3.210455 -1.055338 0.964221
H 3.382611 0.724540 1.049434
H -0.093465 -1.386476 -1.309480
H 4.758247 -1.569982 -1.610957
H 5.190108 -2.363284 -0.053119
H 6.407587 -1.399823 -0.964102
H 6.896922 0.128416 0.813353
H 5.789923 -0.692870 1.968380
H 5.589916 1.058086 1.600917
H -2.347323 -1.875235 -1.200672
H -2.989672 1.711433 1.167921
H -4.786746 -2.375880 -1.117142
H -5.447159 1.207686 1.253536
H -6.353606 -0.839865 0.108941


