%chk=000127922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127922

0 1
 O  -5.8300000E-02 -2.7899999E-02  0.8843000    
 N    3.342700       1.154400      2.4499999E-02
 N   -3.392500     -0.8349000     -0.3705000    
 C    2.285400      0.2566000      0.5117000    
 C    2.372900     -0.9282000     -0.4386000    
 C    3.859400      -1.050600     -0.7388000    
 C    4.470000      0.2678000     -0.2841000    
 C   0.9201000      0.9252000      0.5031000    
 C   -1.318700      0.1345000      0.3671000    
 C   -2.144300     -0.9446000      0.1371000    
 C   -1.777600       1.404400      6.7100003E-02
 C   -1.685600      -2.331300      0.4488000    
 C   -3.056400       1.557900     -0.4568000    
 C   -3.817100      0.4167000     -0.6550000    
 H    2.522300     -8.4700003E-02   1.528700    
 H    1.826100     -0.7354000      -1.370300    
 H    1.971700      -1.846900      1.3000000E-03
 H    4.301100      -1.888200     -0.1879000    
 H    4.022100      -1.225700      -1.807500    
 H    5.078600      0.1096000      0.6140000    
 H    5.112100      0.7063000      -1.053700    
 H    3.600000       1.833900      0.7381000    
 H   0.7342000       1.317000     -0.5067000    
 H   0.9074000       1.759800       1.214600    
 H   -1.193700       2.300800      0.2494000    
 H   -2.462200      -3.065600      0.2103000    
 H  -0.7966000      -2.580500     -0.1393000    
 H   -1.450600      -2.426000       1.513700    
 H   -3.448400       2.539700     -0.6961000    
 H   -4.821800      0.4824000      -1.059600    


%chk=000127922-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127922

0 1
O -0.075819 -0.315036 0.316111
N 3.413853 1.032563 0.554120
N -3.706150 -0.672337 -0.045843
C 2.314857 0.017133 0.570866
C 2.715635 -1.037074 -0.503355
C 4.260223 -0.932184 -0.571868
C 4.490990 0.589453 -0.382221
C 0.982788 0.718155 0.272101
C -1.395213 0.088789 0.085865
C -2.386469 -0.943133 0.160900
C -1.790293 1.414445 -0.209252
C -1.989785 -2.366891 0.473287
C -3.164299 1.676664 -0.421244
C -4.083112 0.612437 -0.330563
H 2.230921 -0.473819 1.563459
H 2.271767 -0.762821 -1.479581
H 2.353419 -2.045004 -0.245504
H 4.723210 -1.497668 0.259352
H 4.672475 -1.315675 -1.521751
H 5.488931 0.830557 0.027181
H 4.394998 1.111772 -1.354803
H 3.756787 1.276079 1.488521
H 1.021085 1.189163 -0.730792
H 0.772875 1.499458 1.029920
H -1.058950 2.224867 -0.276616
H -2.891614 -2.997903 0.484248
H -1.275949 -2.755274 -0.276790
H -1.480450 -2.432605 1.452687
H -3.509015 2.689831 -0.652368
H -5.155396 0.772558 -0.487166


