%chk=000019031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019031

0 1
 O    5.819600      -1.835200      -1.018900    
 N   -2.681200      -1.159700      0.3298000    
 N    3.141400       2.752500      0.3373000    
 C   0.1414000     -0.5063000      0.7779000    
 C  -0.9423000      0.5700000      0.6541000    
 C  -0.4855000      -1.819100       1.259400    
 C   -2.112800      8.5299999E-02 -0.2039000    
 C   -1.670700      -2.224800      0.3809000    
 C    1.258100     -5.5199999E-02   1.715300    
 C    2.208800      0.8925000       1.053100    
 C   -3.830300      -1.582100     -0.4707000    
 C    3.376000      0.5339000      0.3460000    
 C    2.078700       2.250300       1.039200    
 C   -4.922000     -0.5453000     -0.4759000    
 C    3.950300       1.727000     -9.7999997E-02
 C    4.012800     -0.6832000      3.2099999E-02
 C    5.134200       1.763800     -0.8433000    
 C   -5.909600     -0.5879000      0.4983000    
 C   -4.925600      0.4383000      -1.454900    
 C    5.197600     -0.6617000     -0.7126000    
 C    5.748000      0.5442000      -1.142500    
 C   -6.921400      0.3724000      0.4933000    
 C   -5.937300       1.398800      -1.459900    
 C   -6.935100       1.365700     -0.4858000    
 C    5.206700      -3.034400     -0.5503000    
 H   0.5578000     -0.6901000     -0.2229000    
 H  -0.5336000       1.479300      0.2000000    
 H   -1.313300      0.8485000       1.649500    
 H  -0.8213000      -1.714400       2.299600    
 H   0.2640000      -2.619700       1.245900    
 H   -2.829800      0.9094000     -0.1691000    
 H   -1.782500     -3.9700001E-02  -1.243400    
 H   -1.313400      -2.474400     -0.6270000    
 H   -2.111600      -3.135200      0.8047000    
 H    1.827600     -0.9271000       2.063100    
 H   0.8426000      0.4046000       2.621500    
 H   -4.243000      -2.516700     -6.7400001E-02
 H   -3.535600      -1.811500      -1.504600    
 H    1.336000       2.913300       1.460500    
 H    3.308900       3.733900      0.1635000    
 H    3.541200      -1.590400      0.3892000    
 H    5.563300       2.702100      -1.178400    
 H   -5.907500      -1.355800       1.266800    
 H   -4.165100      0.4682000      -2.230100    
 H    6.669400      0.5444000      -1.720300    
 H   -7.698200      0.3469000       1.252000    
 H   -5.950100       2.170100      -2.224400    
 H   -7.723100       2.113100     -0.4901000    
 H    5.833100      -3.868400     -0.8837000    
 H    4.216900      -3.182200     -0.9956000    
 H    5.181200      -3.073400      0.5441000    


%chk=000019031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019031

0 1
O 5.495275 -1.620506 -1.573599
N -2.589177 -1.127419 0.253650
N 3.346553 2.816296 1.058266
C 0.218169 -0.645192 1.059106
C -0.722476 0.491939 0.596297
C -0.632023 -1.798726 1.644697
C -1.803117 -0.030449 -0.368199
C -1.718630 -2.259135 0.653075
C 1.281561 -0.150213 2.083915
C 2.261339 0.852237 1.524456
C -3.721946 -1.562991 -0.595000
C 3.343202 0.579584 0.591253
C 2.301800 2.224406 1.783052
C -4.839978 -0.527730 -0.693955
C 4.004304 1.825874 0.316512
C 3.813526 -0.614693 -0.025700
C 5.112514 1.909258 -0.557003
C -5.186707 0.270395 0.425505
C -5.584021 -0.386155 -1.890967
C 4.919995 -0.524505 -0.893788
C 5.563014 0.724240 -1.160164
C -6.258231 1.187103 0.349571
C -6.660894 0.527128 -1.969048
C -7.002270 1.317227 -0.847465
C 4.899094 -2.933435 -1.342095
H 0.752851 -1.028883 0.162667
H -0.138889 1.291627 0.102863
H -1.219282 0.936240 1.482828
H -1.121960 -1.453487 2.577289
H 0.014427 -2.660444 1.906615
H -2.498741 0.783213 -0.641187
H -1.314435 -0.382092 -1.316276
H -1.221921 -2.725067 -0.240629
H -2.351516 -3.038298 1.119461
H 1.832378 -1.034643 2.467848
H 0.749968 0.287151 2.952908
H -4.132601 -2.487930 -0.139981
H -3.390482 -1.842140 -1.629224
H 1.661085 2.819209 2.432134
H 3.594587 3.802320 1.077429
H 3.323428 -1.570287 0.182863
H 5.614263 2.860758 -0.764885
H -4.593178 0.164531 1.340607
H -5.318259 -0.991575 -2.767236
H 6.416033 0.724971 -1.845196
H -6.515156 1.799677 1.221796
H -7.226974 0.625845 -2.902523
H -7.834414 2.028108 -0.906345
H 5.488664 -3.632894 -1.953462
H 3.838724 -2.960084 -1.664575
H 4.964223 -3.225763 -0.274761


