%chk=000005662.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005662

0 1
 O    3.211900       1.182500      -1.575600    
 N    1.229300     -8.0100000E-02  6.7500003E-02
 C    2.650700     -8.3899997E-02  0.4176000    
 C    3.368800       1.148600     -0.1567000    
 C    3.296100      -1.388900     -6.7400001E-02
 C   0.5916000       1.162600      0.5236000    
 C   0.5584000      -1.259900      0.6307000    
 C   -1.644000     -1.5200000E-02  0.6448000    
 C  -0.8827000       1.209600      0.1140000    
 C  -0.9173000      -1.302700      0.2255000    
 C    4.863000       1.108500      0.1784000    
 C    4.788400      -1.420100      0.2618000    
 C    5.518300     -0.1947000     -0.2822000    
 C   -3.100700     -1.3300000E-02  0.2234000    
 C   -4.056700      0.6009000       1.030400    
 C   -3.480000     -0.6252000     -0.9701000    
 C   -5.396700      0.6030000      0.6428000    
 C   -4.820000     -0.6229000      -1.357600    
 C   -5.778300     -8.8000000E-03 -0.5511000    
 H    2.755300     -4.6999998E-02   1.512500    
 H    2.995900       2.092400      0.2509000    
 H    3.155600      -1.517700      -1.148200    
 H    2.885100      -2.273500      0.4270000    
 H    1.030200       2.049800      6.0300000E-02
 H   0.6782000       1.276000       1.612100    
 H   0.6452000      -1.283600       1.724800    
 H   0.9641000      -2.196200      0.2405000    
 H   -1.616900      1.8700000E-02   1.743900    
 H   -1.337800       2.131400      0.4974000    
 H  -0.9583000       1.256100     -0.9810000    
 H  -0.9397000      -1.451200     -0.8599000    
 H   -1.398500      -2.177500      0.6805000    
 H    5.000600       1.221700       1.260600    
 H    5.375900       1.946000     -0.3094000    
 H    5.238800      -2.329500     -0.1521000    
 H    4.920800      -1.466400       1.350000    
 H    6.564100     -0.2147000      4.5000002E-02
 H    5.529000     -0.2347000      -1.378300    
 H    2.258800       1.172000      -1.766300    
 H   -3.771800       1.083000       1.961500    
 H   -2.771300      -1.089200      -1.645900    
 H   -6.142700       1.082000       1.270000    
 H   -5.117000      -1.092900      -2.290600    
 H   -6.821300     -5.5999998E-03 -0.8539000    


%chk=000005662-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005662

0 1
O 2.908404 0.608717 -1.800825
N 1.263774 -0.025405 0.295773
C 2.746573 0.021993 0.574132
C 3.358843 1.018969 -0.465378
C 3.424497 -1.363999 0.455555
C 0.559120 1.173565 0.836513
C 0.547078 -1.261719 0.712806
C -1.692665 -0.014769 0.703592
C -0.890794 1.259993 0.324752
C -0.907874 -1.256376 0.199277
C 4.895644 1.065103 -0.444417
C 4.964328 -1.256114 0.563434
C 5.531217 -0.337244 -0.540410
C -3.131188 0.018012 0.193878
C -4.221432 -0.030919 1.099651
C -3.417056 0.096605 -1.195756
C -5.557487 -0.002820 0.637722
C -4.749060 0.125094 -1.662790
C -5.826818 0.075362 -0.747388
H 2.942424 0.416755 1.602341
H 2.980377 2.043838 -0.250696
H 3.170040 -1.809023 -0.526834
H 3.047519 -2.043167 1.242844
H 1.111232 2.080450 0.535780
H 0.555866 1.145785 1.956738
H 0.542555 -1.366200 1.828725
H 1.067636 -2.140282 0.300502
H -1.724323 -0.069085 1.813064
H -1.380682 2.156730 0.749932
H -0.878087 1.380859 -0.775380
H -0.895213 -1.260598 -0.907856
H -1.414916 -2.184084 0.526953
H 5.216483 1.557766 0.497093
H 5.229705 1.707567 -1.280157
H 5.408505 -2.267675 0.494032
H 5.241242 -0.852165 1.560373
H 6.632382 -0.261442 -0.457530
H 5.300526 -0.768729 -1.532928
H 1.972124 0.282302 -1.630272
H -4.020399 -0.091571 2.176855
H -2.594067 0.135803 -1.919952
H -6.384629 -0.041786 1.355909
H -4.948165 0.186158 -2.738971
H -6.860841 0.097145 -1.109487


