%chk=000149738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149738

0 1
 O   0.2647000      -2.816900      -1.879900    
 N   -4.552800      0.8390000      0.9444000    
 N  -0.7824000      -2.733900      0.1873000    
 N   0.7382000      0.2501000     -0.5398000    
 C   -3.323200      -1.210800      0.3997000    
 C   -3.005000      -2.229100     -0.7003000    
 C   -4.268800     -0.1248000     -0.1125000    
 C   -2.036600      -3.313700     -0.2367000    
 C    1.683200     -0.5700000     -4.1000001E-02
 C    1.504900      -1.950100     -8.8600002E-02
 C    2.864900     -7.6099999E-02  0.5369000    
 C   0.2976000      -2.522000     -0.6743000    
 C    2.060100       2.167100      6.5200001E-02
 C    3.038100       1.311000      0.5818000    
 C   0.9099000       1.585300     -0.4941000    
 C   -5.438600       1.896000      0.4533000    
 C   -3.311400       1.416900       1.462100    
 C    2.463200      -2.831100      0.4186000    
 C    3.831300     -0.9597000       1.048200    
 C    3.628900      -2.335300      0.9884000    
 C    2.208200       3.564700      9.7000003E-02
 C  -6.7299999E-02   2.432400      -1.010000    
 C    1.216400       4.389500     -0.4256000    
 C   7.6399997E-02   3.821800     -0.9802000    
 H   -3.765500      -1.725100       1.261900    
 H   -2.371400     -0.7790000      0.7218000    
 H   -3.933600      -2.705000      -1.037500    
 H   -2.579600      -1.706200      -1.566200    
 H   -5.203300     -0.5963000     -0.4414000    
 H   -3.826000      0.3675000     -0.9886000    
 H   -2.449500      -3.863800      0.6150000    
 H   -1.851800      -4.024300      -1.049000    
 H  -0.6855000      -2.476700       1.165600    
 H    3.942600       1.728200       1.022900    
 H   -6.378600       1.469900      8.5199997E-02
 H   -4.981400       2.475700     -0.3568000    
 H   -5.704300       2.584100       1.263600    
 H   -3.533100       2.265500       2.121300    
 H   -2.654300       1.783800      0.6662000    
 H   -2.764000      0.7127000       2.096300    
 H    2.307700      -3.906100      0.3735000    
 H    4.747100     -0.5803000       1.496000    
 H    4.376900      -3.015300       1.384200    
 H    3.097500       4.017900      0.5294000    
 H  -0.9697000       2.011300      -1.449900    
 H    1.333200       5.468400     -0.3996000    
 H  -0.7038000       4.456100      -1.390400    


%chk=000149738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149738

0 1
O 0.309975 -4.203962 -0.114259
N -4.705866 1.247149 -0.168063
N -0.616366 -2.244704 0.769085
N 0.863523 -0.001853 0.653280
C -3.258807 -0.738700 0.439873
C -3.081218 -2.266553 0.283294
C -4.490403 -0.214091 -0.324872
C -1.910912 -2.839437 1.120341
C 1.862400 -0.758327 0.090530
C 1.659970 -2.179136 -0.148808
C 3.144844 -0.156446 -0.281202
C 0.390907 -2.960756 0.169678
C 2.303050 2.009165 0.531473
C 3.330191 1.226904 -0.045665
C 1.054697 1.336335 0.872549
C -6.070824 1.647502 -0.570629
C -3.683964 2.061223 -0.858756
C 2.698461 -2.916609 -0.725624
C 4.173424 -0.970360 -0.869154
C 3.951209 -2.325577 -1.086319
C 2.433836 3.418489 0.791271
C -0.011892 2.104375 1.456435
C 1.382475 4.131425 1.358957
C 0.150356 3.466816 1.692924
H -3.375411 -0.476345 1.510724
H -2.342885 -0.233640 0.076238
H -4.011192 -2.783075 0.599370
H -2.916954 -2.520142 -0.782477
H -5.391078 -0.725758 0.068105
H -4.403611 -0.502404 -1.407087
H -2.110358 -2.661861 2.197034
H -1.823409 -3.928435 0.961620
H -0.407439 -1.234286 0.926951
H 4.284892 1.695470 -0.316293
H -6.814471 1.080275 0.017197
H -6.285000 1.475518 -1.657303
H -6.219405 2.722826 -0.363042
H -3.887263 3.132916 -0.682077
H -3.664246 1.890973 -1.966715
H -2.677902 1.841238 -0.463420
H 2.508026 -3.982473 -0.893882
H 5.127966 -0.503710 -1.140427
H 4.730587 -2.950688 -1.534217
H 3.374742 3.919611 0.534193
H -0.942885 1.586209 1.708534
H 1.484787 5.203864 1.555853
H -0.667054 4.044347 2.138182


