%chk=000028383.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028383

0 1
 O  -0.8918000      -1.222200      0.8332000    
 N   -3.313700      -1.935400     -0.4346000    
 C    1.372900       1.171000      -1.051800    
 C   9.6000001E-02 -0.2822000       1.282000    
 C    1.999200     -8.2000002E-02 -0.4167000    
 C   0.1852000       1.752700     -0.2669000    
 C    1.419500     -0.7273000      0.6878000    
 C  -0.3767000       1.089100      0.8360000    
 C    2.466700       2.260400      -1.148700    
 C   0.8783000      0.7986000      -2.478600    
 C   0.1959000     -0.3088000       2.822400    
 C    3.186400     -0.6296000     -0.9578000    
 C  -0.3871000       2.984700     -0.6626000    
 C    2.060300      -1.863400       1.236200    
 C   -1.454900       1.691600       1.526300    
 C  -0.9719000      -1.238200     -0.5804000    
 C    3.802700      -1.752300     -0.4056000    
 C   -1.451900       3.562500      2.8400000E-02
 C    3.241700      -2.367400      0.7001000    
 C   -1.983300       2.917200       1.131700    
 C   -2.013300      -2.263600     -0.9992000    
 C   -4.308600      -2.945600     -0.8032000    
 C   -3.751700     -0.6097000     -0.8781000    
 H    2.829600       2.543600     -0.1524000    
 H    3.336400       1.941200      -1.732300    
 H    2.114600       3.174200      -1.638500    
 H    1.718400      0.4974000      -3.116800    
 H   0.1636000     -2.1100000E-02  -2.515100    
 H   0.4095000       1.653700      -2.979400    
 H  -0.7542000     -9.1600001E-02   3.319000    
 H   0.4395000      -1.298000       3.220800    
 H   0.9447000      0.4019000       3.192200    
 H    3.651600     -0.1877000      -1.835600    
 H  -1.0600000E-02   3.518000      -1.532100    
 H    1.626000      -2.422300       2.059100    
 H   -1.952000       1.194900       2.353700    
 H   -1.239500     -0.2755000      -1.010600    
 H  -4.5100000E-02  -1.606300      -1.027300    
 H    4.714800      -2.143900     -0.8457000    
 H   -1.864500       4.511000     -0.3021000    
 H    3.705500      -3.249200       1.131100    
 H   -2.820500       3.350700       1.670000    
 H   -2.050700      -2.327500      -2.094300    
 H   -1.701100      -3.245300     -0.6204000    
 H   -5.272100      -2.729400     -0.3282000    
 H   -4.001100      -3.935700     -0.4483000    
 H   -4.461000      -2.998900      -1.887300    
 H   -3.697600     -0.4934000      -1.966700    
 H   -3.186100      0.1936000     -0.4004000    
 H   -4.792200     -0.4336000     -0.5783000    


%chk=000028383-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028383

0 1
O -0.835044 -1.464882 0.779270
N -3.778701 -1.852595 -0.034718
C 1.880897 1.607267 -0.779996
C 0.176926 -0.372386 0.829592
C 2.276511 0.125492 -0.588945
C 0.398944 1.871249 -0.426018
C 1.472899 -0.794747 0.134432
C -0.401766 0.930263 0.273181
C 2.779071 2.481914 0.160294
C 2.140976 2.027289 -2.261613
C 0.424875 -0.220387 2.353816
C 3.517632 -0.338959 -1.107555
C -0.192311 3.116799 -0.777576
C 1.901579 -2.138581 0.295669
C -1.764162 1.218960 0.554909
C -1.306364 -1.834886 -0.564830
C 3.943252 -1.670905 -0.940180
C -1.536604 3.411920 -0.478595
C 3.123560 -2.585525 -0.238039
C -2.336508 2.447860 0.179289
C -2.586305 -2.659301 -0.387126
C -4.815393 -2.652065 0.647709
C -4.325076 -1.100674 -1.181147
H 2.618988 2.214426 1.220134
H 3.848717 2.332024 -0.074108
H 2.540431 3.553913 0.036557
H 3.199347 1.887137 -2.538915
H 1.520094 1.429863 -2.952187
H 1.908810 3.093394 -2.422195
H -0.521866 0.035969 2.858595
H 0.806052 -1.169456 2.767995
H 1.162554 0.576788 2.549680
H 4.170341 0.350514 -1.653410
H 0.405210 3.874901 -1.295012
H 1.248747 -2.824448 0.847353
H -2.367249 0.444956 1.045048
H -1.488795 -0.928002 -1.174495
H -0.534185 -2.444595 -1.079514
H 4.905062 -1.993294 -1.354721
H -1.958731 4.382506 -0.762966
H 3.437925 -3.626801 -0.106487
H -3.389403 2.655568 0.400367
H -2.756432 -3.255612 -1.322772
H -2.403455 -3.381907 0.429732
H -5.647524 -1.994189 0.957853
H -4.389511 -3.114349 1.555623
H -5.245411 -3.467719 0.010397
H -4.692483 -1.764025 -2.007247
H -3.559387 -0.424679 -1.599230
H -5.170933 -0.475101 -0.843897


