%chk=000038065.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038065

0 1
 O  -0.4221000       1.306500      0.4277000    
 O    1.790200       2.851900       1.212600    
 N    2.560200     -0.1172000     -0.8605000    
 N  -0.8303000      -1.354200       2.803400    
 C    2.438700      0.7194000      0.3258000    
 C    1.812300       2.079500      8.8999998E-03
 C    3.209900      -1.381400     -0.5422000    
 C   0.3882000       1.976900     -0.5328000    
 C    3.319200      -2.249600      -1.792500    
 C    2.423700      -2.094700      0.5532000    
 C   -1.482000      0.5872000     -5.6299999E-02
 C   -1.945400     -0.5441000      0.6095000    
 C   -2.091700       1.010300      -1.234400    
 C   -3.027000      -1.257900      9.3400002E-02
 C   -3.173300      0.2965000      -1.750300    
 C   -3.640900     -0.8375000      -1.086600    
 C   -1.329600     -0.9915000       1.821200    
 H    1.824200      0.2560000       1.104400    
 H    3.425600      0.8906000      0.7759000    
 H    2.437000       2.623000     -0.7090000    
 H    4.229500      -1.195200     -0.1812000    
 H    3.092100      0.3746000      -1.578000    
 H   0.4198000       1.452400      -1.495800    
 H  -1.7800000E-02   2.985200     -0.6768000    
 H    3.828600      -3.192800      -1.567300    
 H    2.331100      -2.489800      -2.200800    
 H    3.894100      -1.741300      -2.574600    
 H    2.567600      -1.643000       1.539800    
 H    2.765400      -3.132500      0.6480000    
 H    1.351200      -2.131200      0.3302000    
 H    1.197700       2.404400       1.841000    
 H   -1.785500       1.904900      -1.767800    
 H   -3.404200      -2.143900      0.5986000    
 H   -3.656900      0.6277000      -2.664800    
 H   -4.484300      -1.392100      -1.487500    


%chk=000038065-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038065

0 1
O -0.309401 0.897693 0.329609
O 1.513983 2.843159 1.209145
N 3.088625 0.024989 -0.767927
N -1.199880 -0.489404 3.408024
C 2.645736 0.765404 0.434670
C 1.799498 2.001742 0.040679
C 3.360257 -1.432402 -0.593779
C 0.507351 1.608788 -0.685365
C 4.210594 -1.919464 -1.784548
C 2.036137 -2.222697 -0.502536
C -1.552890 0.395269 -0.029174
C -2.269086 -0.276631 1.011345
C -2.124076 0.507606 -1.319170
C -3.549843 -0.824117 0.738349
C -3.399492 -0.044461 -1.568535
C -4.116672 -0.709874 -0.547204
C -1.683118 -0.390476 2.317869
H 2.022548 0.097686 1.055633
H 3.482189 1.122029 1.075986
H 2.386786 2.652896 -0.633090
H 3.940032 -1.617792 0.344270
H 3.886423 0.492481 -1.220433
H 0.742510 0.928893 -1.525611
H -0.042517 2.506204 -1.026928
H 4.403429 -3.003955 -1.708797
H 3.680576 -1.725465 -2.735595
H 5.189589 -1.403263 -1.819621
H 1.394941 -1.857512 0.319846
H 2.236897 -3.294807 -0.320988
H 1.471952 -2.120826 -1.447612
H 0.873058 2.350347 1.785754
H -1.584993 1.016865 -2.122183
H -4.087289 -1.335559 1.542968
H -3.834109 0.047463 -2.569816
H -5.104445 -1.133712 -0.750835


