%chk=000168082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168082

0 1
 O    1.897500       1.756500      0.6653000    
 N   0.5539000      0.2489000     -0.4802000    
 N   -2.776400      0.1055000       1.127500    
 N   -3.768300      -1.319600     -0.2572000    
 C    3.478400      -1.100200      0.2380000    
 C    2.237500     -0.6190000       1.004700    
 C  -0.2574000       1.222000      -1.174400    
 C   -1.502800       1.619500     -0.3853000    
 C    1.573800      0.6042000      0.3906000    
 C    4.525700      9.9999998E-03  0.1187000    
 C    3.078400      -1.583500      -1.157500    
 C   -2.420400      0.4491000     -0.1236000    
 C   -3.020500     -0.4144000     -0.9678000    
 C   -3.599300     -0.9790000       1.001200    
 H    3.916900      -1.941000      0.7889000    
 H    1.508400      -1.433700       1.094700    
 H    2.519300     -0.3508000       2.030900    
 H  -0.5284000      0.7822000      -2.140400    
 H   0.3489000       2.112800      -1.373000    
 H   -1.205700       2.079500      0.5657000    
 H   -2.060200       2.378500     -0.9475000    
 H    5.444400     -0.3826000     -0.3307000    
 H    4.783200      0.4096000       1.105100    
 H    4.182700      0.8384000     -0.5094000    
 H    3.937300      -2.047500      -1.655300    
 H    2.285500      -2.336700      -1.101300    
 H    2.736500     -0.7657000      -1.799900    
 H   0.3487000     -0.7331000     -0.6390000    
 H   -2.498800      0.5495000       1.993400    
 H   -2.971800     -0.4533000      -2.046200    
 H   -4.038600      -1.469400       1.858200    


%chk=000168082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168082

0 1
O 0.962374 0.949727 0.733715
N 0.363102 -0.247714 -1.170203
N -1.892628 0.345903 1.230185
N -3.916333 -0.619159 0.942276
C 3.409338 -1.132546 0.225880
C 1.872279 -1.322157 0.455123
C -0.425123 0.808042 -1.841306
C -1.455240 1.567937 -0.949929
C 1.036136 -0.114412 0.026242
C 3.999051 -0.018821 1.122049
C 3.745199 -0.892150 -1.265109
C -2.303234 0.698657 -0.064343
C -3.557946 0.093711 -0.216156
C -2.884573 -0.443934 1.795293
H 3.874056 -2.094821 0.527017
H 1.539351 -2.235760 -0.075951
H 1.694597 -1.478064 1.535031
H -0.960875 0.312335 -2.670390
H 0.260255 1.559529 -2.283060
H -0.909217 2.301317 -0.333154
H -2.108870 2.134680 -1.638948
H 5.089750 0.067286 0.960910
H 3.825996 -0.233468 2.192667
H 3.531880 0.956588 0.902171
H 4.840015 -0.870827 -1.415209
H 3.332404 -1.690401 -1.911801
H 3.341353 0.076428 -1.614384
H 0.441100 -1.143821 -1.653213
H -0.985474 0.619924 1.622317
H -4.226577 0.137000 -1.073888
H -2.823747 -0.854308 2.800369


