%chk=000066990.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066990

0 1
 O    2.746500       1.288100      0.2005000    
 N    1.219800     -0.4703000     -0.1523000    
 N    3.498300     -0.8447000     -0.1269000    
 C   -1.203900     -0.5724000     -0.2609000    
 C   -1.171600      -2.046200     -0.5061000    
 C  -2.7000001E-02  0.1576000     -9.5200002E-02
 C   -2.439200      7.2400004E-02 -0.1993000    
 C  -8.5400000E-02   1.532600      0.1321000    
 C   -1.211100      -2.846400      0.7931000    
 C   -2.497600       1.447400      2.8200001E-02
 C   -1.320700       2.177500      0.1940000    
 C    2.492000      0.1044000     -7.1999999E-03
 H   -2.046800      -2.327400      -1.107600    
 H  -0.3200000      -2.348700      -1.124300    
 H   -3.365100     -0.4831000     -0.3241000    
 H   0.7763000       2.169400      0.2706000    
 H  -0.3391000      -2.630800       1.419400    
 H   -1.215400      -3.919000      0.5751000    
 H   -2.109500      -2.615300       1.375600    
 H   -3.459400       1.949500      7.6899998E-02
 H   -1.367800       3.248100      0.3712000    
 H    1.227200      -1.474200     -0.2952000    
 H    4.475600     -0.5850000     -4.5800000E-02
 H    3.292900      -1.823100     -0.2991000    


%chk=000066990-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066990

0 1
O 2.767156 1.234278 0.274983
N 1.193511 -0.493148 -0.132768
N 3.493231 -0.941536 -0.095679
C -1.246268 -0.550013 -0.296849
C -1.225370 -2.058898 -0.519708
C -0.047864 0.205539 -0.083466
C -2.484398 0.132736 -0.260563
C -0.116840 1.603109 0.160740
C -1.048929 -2.869742 0.795461
C -2.562300 1.521563 -0.016306
C -1.370099 2.248750 0.194448
C 2.488500 0.023670 0.029595
H -2.178577 -2.361493 -0.990092
H -0.439312 -2.350573 -1.249331
H -3.403786 -0.441745 -0.429658
H 0.809845 2.157651 0.318765
H -0.118674 -2.600460 1.329479
H -1.028538 -3.956479 0.592947
H -1.886654 -2.663752 1.484342
H -3.534559 2.025121 0.005174
H -1.408736 3.327102 0.385098
H 1.118749 -1.492462 -0.324621
H 4.448591 -0.613303 0.018932
H 3.330320 -1.925517 -0.298226


