%chk=000168824.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168824

0 1
 O   -4.360000      -1.609200     -0.4568000    
 N    3.007400      0.4310000     -0.9615000    
 C   0.2848000     -5.8400001E-02  0.1032000    
 C    2.622300      0.8622000      0.3907000    
 C    1.128500       1.205500      0.3879000    
 C   0.5560000      -1.075600       1.251000    
 C   0.7407000     -0.5858000      -1.287700    
 C    2.907100     -0.1083000       1.551800    
 C    2.025100      -1.352400       1.575300    
 C    2.256300     -0.7083000      -1.483900    
 C   -1.234900      0.2150000      5.2600000E-02
 C    4.445500      0.2312000      -1.111300    
 C   -2.119400     -0.8342000     -0.1817000    
 C   -1.711400       1.509300      0.2413000    
 C   -3.491400     -0.5869000     -0.2275000    
 C   -3.083300       1.756500      0.1955000    
 C   -3.973300      0.7083000     -3.8899999E-02
 H    3.163000       1.794400      0.6035000    
 H   0.8620000       1.644700       1.359100    
 H   0.9485000       1.980000     -0.3712000    
 H   7.1400002E-02  -2.038300       1.046700    
 H   8.4899999E-02 -0.6957000       2.169400    
 H   0.3609000      9.7900003E-02  -2.061400    
 H   0.2875000      -1.561700      -1.502500    
 H    2.740100      0.4372000       2.491000    
 H    3.962200     -0.4030000       1.571700    
 H    2.421600      -2.110400      0.8950000    
 H    2.088200      -1.814500       2.568900    
 H    2.612800      -1.653000      -1.064700    
 H    2.441100     -0.7886000      -2.563300    
 H    4.702500      9.0999998E-02  -2.167400    
 H    4.808100     -0.6413000     -0.5577000    
 H    4.999500       1.112900     -0.7711000    
 H   -1.756300      -1.846500     -0.3348000    
 H   -1.068200       2.361000      0.4290000    
 H   -3.459500       2.764600      0.3428000    
 H   -5.041000      0.9072000     -7.3500000E-02
 H   -3.856100      -2.434100     -0.5641000    


%chk=000168824-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168824

0 1
O -4.439553 -1.616318 -0.527809
N 3.043809 0.381463 -0.952431
C 0.303633 -0.052090 0.111979
C 2.646949 0.864381 0.399302
C 1.146118 1.222139 0.379981
C 0.558974 -1.055524 1.291526
C 0.745815 -0.587486 -1.293599
C 2.940160 -0.094781 1.597688
C 2.048149 -1.361260 1.602485
C 2.270679 -0.762946 -1.483029
C -1.213428 0.241611 0.060288
C 4.492980 0.220298 -1.144854
C -2.119126 -0.818806 -0.214569
C -1.751589 1.534015 0.285306
C -3.511845 -0.589509 -0.259399
C -3.149361 1.754122 0.237916
C -4.042972 0.700437 -0.032834
H 3.226577 1.794887 0.569514
H 0.868223 1.671857 1.353357
H 0.970970 1.973440 -0.412684
H 0.022105 -2.005657 1.102014
H 0.088974 -0.611277 2.192873
H 0.378409 0.139519 -2.043645
H 0.252081 -1.553358 -1.514418
H 2.767159 0.481052 2.530713
H 4.009812 -0.383043 1.603214
H 2.440617 -2.098445 0.879832
H 2.106388 -1.849866 2.595450
H 2.602018 -1.735640 -1.043030
H 2.480258 -0.837063 -2.569770
H 4.710963 0.092889 -2.221948
H 4.931658 -0.659269 -0.608716
H 5.019152 1.127495 -0.795463
H -1.736966 -1.833451 -0.395283
H -1.088399 2.377040 0.495612
H -3.545615 2.760618 0.413859
H -5.125644 0.850300 -0.073355
H -3.974933 -2.478075 -0.670676


