%chk=000018544.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018544

0 1
 O    5.890800      0.2164000      0.7544000    
 O   -5.165900       1.679000      7.4800000E-02
 N    1.131900     -0.2591000       1.319800    
 N  -0.7955000     -0.3049000     -0.1680000    
 C    2.254800     -8.4399998E-02  0.4844000    
 C    3.533000     -1.8800000E-02   1.039000    
 C    4.643800      0.1527000      0.2130000    
 C    2.087300      2.1500001E-02 -0.8963000    
 C   -2.187700     -0.4338000     -0.1539000    
 C    4.476300      0.2587000      -1.167700    
 C    3.198200      0.1931000      -1.722400    
 C   -2.992000      0.7006000     -4.4000000E-02
 C   -4.380800      0.5724000     -3.1199999E-02
 C   -2.772500      -1.696500     -0.2509000    
 C   -4.965500     -0.6903000     -0.1281000    
 C   -4.161400      -1.824700     -0.2380000    
 C  -0.1989000     -0.3501000      0.9821000    
 C    6.982100      0.3928000     -0.1477000    
 C   -6.578100       1.475400      8.0700003E-02
 H    3.672000     -0.1008000       2.114500    
 H    1.127100     -2.0900000E-02  -1.391600    
 H    1.363700     -0.3235000       2.307900    
 H    5.294600      0.3931000      -1.866800    
 H    3.067700      0.2756000      -2.797700    
 H   -2.539900       1.686800      3.0700000E-02
 H   -2.154500      -2.586400     -0.3379000    
 H   -6.036400     -0.8621000     -0.1245000    
 H   -4.615700      -2.808300     -0.3138000    
 H  -0.7989000     -0.4846000       1.902200    
 H    7.896900      0.4217000      0.4533000    
 H    6.916600       1.349900     -0.6763000    
 H    7.077600     -0.4550000     -0.8345000    
 H   -6.896500      0.8892000      0.9494000    
 H   -6.926000       1.041700     -0.8631000    
 H   -7.046400       2.460900      0.1712000    


%chk=000018544-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018544

0 1
O 5.870515 0.540333 0.739853
O -5.214779 1.462400 0.706474
N 1.123723 0.265823 1.326538
N -0.765957 -0.399804 0.021813
C 2.219031 0.094921 0.436408
C 3.510854 0.376183 0.946720
C 4.646504 0.232990 0.119949
C 2.061643 -0.334152 -0.911431
C -2.177064 -0.479401 -0.112108
C 4.508799 -0.191553 -1.225426
C 3.210858 -0.467266 -1.714307
C -3.055035 0.524423 0.374571
C -4.451693 0.401460 0.183820
C -2.717670 -1.595323 -0.814622
C -4.995382 -0.716882 -0.494642
C -4.108576 -1.705133 -0.989007
C -0.234062 0.058487 1.126561
C 7.084452 0.410845 -0.068400
C -6.665437 1.402251 0.522185
H 3.660399 0.707451 1.981174
H 1.060853 -0.551859 -1.286017
H 1.375714 0.578448 2.265789
H 5.377191 -0.307622 -1.879706
H 3.094378 -0.796539 -2.753131
H -2.673413 1.427075 0.863529
H -2.030813 -2.353240 -1.202276
H -6.072258 -0.821338 -0.653898
H -4.519432 -2.570147 -1.522160
H -0.831169 0.305613 2.027095
H 7.908102 0.694717 0.603102
H 7.062720 1.092254 -0.941268
H 7.228464 -0.630795 -0.416157
H -7.100072 0.514243 1.021952
H -6.936142 1.390213 -0.551894
H -7.053449 2.318222 0.991916


