%chk=000015493.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015493

0 1
 O   0.5393000       2.260200      0.2712000    
 N   0.4535000      0.1852000     -0.7897000    
 N   -4.272300      0.1287000      0.7450000    
 C  -0.9440000      0.4134000      -1.177400    
 C   -1.920900      0.1377000     -3.5999998E-02
 C    2.648100       1.188000     -0.1272000    
 C    1.120900       1.263300     -0.1682000    
 C   -3.389700      0.3958000     -0.3842000    
 C    1.008600      -1.081900      -1.053700    
 C    3.024000      0.1806000      0.9137000    
 C    2.734500      -1.122400      0.7824000    
 C    2.034100      -1.642900     -0.3772000    
 C    3.272200       2.550400      0.1792000    
 C   0.3663000      -1.903400      -2.151400    
 C    3.151500      -2.136600       1.807600    
 C   -4.168000      -1.270900       1.161300    
 C   -5.658300      0.4550000      0.4046000    
 H   -1.231500     -0.1308000      -2.079700    
 H   -1.040100       1.471900      -1.455000    
 H   -1.645500      0.7400000      0.8392000    
 H   -1.771200     -0.9091000      0.2513000    
 H    3.017200      0.8829000      -1.114800    
 H   -3.669700     -0.2080000      -1.257700    
 H   -3.485400       1.448200     -0.6804000    
 H    3.561000      0.5229000       1.795100    
 H    2.359200      -2.642300     -0.6660000    
 H    2.960300       2.931600       1.158600    
 H    4.366200       2.489600      0.1743000    
 H    2.973100       3.289700     -0.5722000    
 H   0.3200000      -1.334300      -3.086300    
 H  -0.6382000      -2.232000      -1.865400    
 H   0.9399000      -2.810700      -2.375300    
 H    3.834800      -2.872000       1.369400    
 H    2.277000      -2.666000       2.201200    
 H    3.665800      -1.674200       2.657100    
 H   -4.302000      -1.968000      0.3261000    
 H   -4.932300      -1.502600       1.913300    
 H   -3.214500      -1.478900       1.655900    
 H   -5.747500       1.510000      0.1224000    
 H   -6.313000      0.3078000       1.270800    
 H   -6.036000     -0.1572000     -0.4224000    


%chk=000015493-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015493

0 1
O 0.693333 2.532244 -0.080720
N 0.500092 0.335007 -0.865680
N -4.246221 -0.129296 0.778978
C -0.946684 0.597998 -1.119780
C -1.850089 0.015206 -0.010639
C 2.761439 1.185812 -0.217005
C 1.249801 1.430730 -0.364034
C -3.339263 0.268070 -0.323224
C 0.998860 -0.986714 -1.080178
C 2.944741 0.256867 0.971085
C 2.593432 -1.067776 0.914339
C 1.927025 -1.613663 -0.269711
C 3.527858 2.511067 -0.068853
C 0.379709 -1.750965 -2.242885
C 2.904863 -2.035681 2.045021
C -4.270248 -1.585234 1.022339
C -5.607229 0.414640 0.592360
H -1.225203 0.186910 -2.106680
H -1.062323 1.694109 -1.154717
H -1.602082 0.492401 0.954454
H -1.650534 -1.068768 0.093931
H 3.095557 0.647032 -1.129486
H -3.609957 -0.249262 -1.285540
H -3.483088 1.353219 -0.493487
H 3.384389 0.682971 1.882696
H 2.140421 -2.663025 -0.515194
H 3.149940 3.083452 0.795300
H 4.605202 2.311613 0.074654
H 3.402661 3.146289 -0.962435
H 0.418147 -1.163205 -3.179097
H -0.678961 -2.016493 -2.059997
H 0.932132 -2.690238 -2.406371
H 3.503469 -2.891801 1.676096
H 1.980406 -2.455944 2.484679
H 3.476836 -1.544713 2.850757
H -4.621256 -2.173865 0.134265
H -4.948956 -1.804171 1.865848
H -3.265844 -1.946844 1.299249
H -5.558971 1.514399 0.501346
H -6.227966 0.172239 1.473600
H -6.128039 0.014081 -0.315787


