%chk=000128493.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128493

0 1
 O   -2.227700       1.970500      5.2900001E-02
 N    4.415300      0.2565000      0.3379000    
 N   -3.403300     -0.5641000      0.3877000    
 C    2.167100     -2.2800000E-02 -0.6540000    
 C   0.7075000     -0.1605000     -0.3811000    
 C    2.995100      9.7700000E-02  0.6319000    
 C  -9.5399998E-02  0.9764000     -0.2887000    
 C   0.1451000      -1.426600     -0.2184000    
 C   -1.460500      0.8473000     -3.3799998E-02
 C   -2.023000     -0.4187000      0.1289000    
 C   -1.220100      -1.555700      3.6699999E-02
 H    2.513600     -0.8830000      -1.242500    
 H    2.339500      0.8546000      -1.291900    
 H    2.854600     -0.7920000       1.257000    
 H    2.658100      0.9604000       1.217900    
 H   0.3377000       1.966100     -0.4127000    
 H   0.7602000      -2.319900     -0.2861000    
 H   -1.645500      -2.548300      0.1620000    
 H    4.750100     -0.5543000     -0.1809000    
 H    4.941000      0.2749000       1.210700    
 H   -4.005300      0.2265000      0.5605000    
 H   -3.784200      -1.494700      0.5047000    
 H   -3.165900       1.731700      9.6900001E-02


%chk=000128493-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128493

0 1
O -2.260040 1.994388 0.003293
N 4.452665 0.248608 0.355108
N -3.494442 -0.336908 0.413566
C 2.214869 -0.105472 -0.675678
C 0.718673 -0.209144 -0.425019
C 3.012987 0.114033 0.639725
C -0.071137 0.965096 -0.351762
C 0.105306 -1.474588 -0.215156
C -1.449642 0.867465 -0.070722
C -2.063300 -0.402569 0.141017
C -1.277573 -1.570152 0.065890
H 2.584356 -1.030452 -1.161912
H 2.452775 0.736338 -1.350649
H 2.759206 -0.712802 1.346794
H 2.664985 1.052258 1.110633
H 0.370649 1.953342 -0.518015
H 0.713360 -2.384553 -0.279460
H -1.746661 -2.549150 0.223215
H 4.887283 -0.590885 -0.039009
H 5.007515 0.656394 1.111778
H -3.766614 -0.633456 1.357114
H -4.087390 -0.768919 -0.303222
H -3.173831 1.603126 0.218073


