%chk=000063832.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063832

0 1
 O   -2.551000       1.994000      -1.083800    
 O   0.8726000      -2.408700     -0.8538000    
 N  -0.9824000      0.6145000      5.1000002E-03
 N   -1.694700      -1.495600      0.8421000    
 C  -0.7666000     -0.6120000      0.6380000    
 C   4.5899998E-02   1.613500     -9.5799997E-02
 C   0.6278000      -1.006600       1.080100    
 C   -2.247600      0.9412000     -0.5274000    
 C   -3.303400     -7.3399998E-02 -0.3254000    
 C   -2.986800      -1.238500      0.3731000    
 C   0.2209000       2.551500      0.9150000    
 C   0.8619000       1.623900      -1.221700    
 C    1.410200      -1.704200     -2.3000001E-03
 C   -4.601300      0.1429000     -0.8033000    
 C   -3.988500      -2.191900      0.5898000    
 C    1.224800       3.513000      0.7987000    
 C  -0.6453000       2.557500       2.132800    
 C    2.890800      -1.521700     -2.9300001E-02
 C    1.865600       2.585300      -1.337900    
 C   -5.589600     -0.8151000     -0.5813000    
 C    2.047200       3.529900     -0.3278000    
 C   -5.284200      -1.981500      0.1158000    
 C    3.551800      -1.305000       1.158400    
 C    3.539500      -1.578600      -1.242000    
 C    4.936100      -1.136200       1.132100    
 C    4.923900      -1.409800      -1.268200    
 C    5.622300      -1.188600     -8.1200004E-02
 H    1.160500     -0.1211000       1.433200    
 H   0.5447000      -1.700300       1.925700    
 H   0.7291000      0.8922000      -2.014100    
 H   -4.861400       1.047600      -1.345700    
 H   -3.763100      -3.109500       1.128000    
 H    1.380400       4.256200       1.576200    
 H  -0.3713000       3.363600       2.822300    
 H   -1.694300       2.709400       1.859100    
 H  -0.5463000       1.615600       2.681800    
 H    2.506700       2.597500      -2.214500    
 H   -6.597700     -0.6510000     -0.9504000    
 H    2.829300       4.278000     -0.4183000    
 H   -6.053400      -2.728400      0.2892000    
 H    3.046300      -1.280900       2.118100    
 H    3.007600      -1.744100      -2.173800    
 H    5.480800     -0.9686000       2.056800    
 H    5.458000      -1.449000      -2.213100    
 H    6.700200      -1.057900     -0.1017000    


%chk=000063832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063832

0 1
O -2.812650 2.235114 -0.657014
O 1.161850 -1.186144 -1.532340
N -1.072965 0.806125 0.026671
N -1.466645 -1.490811 0.648144
C -0.653388 -0.458465 0.488963
C -0.127949 1.909063 -0.138969
C 0.805565 -0.663798 0.832048
C -2.452123 1.078876 -0.293550
C -3.346078 -0.084158 -0.151693
C -2.822787 -1.331675 0.315643
C -0.026401 2.903084 0.872578
C 0.638362 1.971295 -1.321777
C 1.653939 -1.130991 -0.370110
C -4.723412 0.038097 -0.472279
C -3.698262 -2.444363 0.453527
C 0.903884 3.951763 0.664786
C -0.901158 2.864551 2.109633
C 3.082192 -1.513402 -0.113008
C 1.554862 3.028560 -1.507113
C -5.575978 -1.069239 -0.334415
C 1.689755 4.018618 -0.508021
C -5.058441 -2.312518 0.130008
C 3.676988 -1.442797 1.176112
C 3.864987 -1.957951 -1.214363
C 5.026732 -1.810762 1.358416
C 5.211745 -2.325285 -1.031079
C 5.796376 -2.252888 0.257056
H 1.261172 0.253908 1.248885
H 0.841430 -1.448058 1.608660
H 0.509949 1.193653 -2.080848
H -5.088126 1.007899 -0.826173
H -3.277580 -3.389564 0.809397
H 1.001734 4.730429 1.430486
H -0.583497 3.623617 2.843916
H -1.953277 3.069860 1.837250
H -0.881755 1.876200 2.605480
H 2.150799 3.078974 -2.424248
H -6.638420 -0.979791 -0.584329
H 2.397282 4.844238 -0.643338
H -5.728002 -3.173506 0.234185
H 3.096294 -1.101720 2.039306
H 3.388704 -2.005755 -2.199232
H 5.478920 -1.754393 2.354418
H 5.807216 -2.667583 -1.884281
H 6.844156 -2.539205 0.401208


