%chk=000026458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026458

0 1
 O    3.856100     -0.5247000     -6.5899998E-02
 N   -2.524300      0.1019000     -0.3291000    
 C   -2.265700      -1.167100      0.3621000    
 C  -0.9008000      -1.721200     -5.9599999E-02
 C   -1.567500       1.129600      0.1186000    
 C   0.1936000     -0.6875000     -7.9999998E-04
 C  -0.1264000      0.6805000      3.9099999E-02
 C    1.536400      -1.084300     -4.6399999E-02
 C   -3.897300      0.5489000     -9.7000003E-02
 C   0.9040000       1.629900      7.0600003E-02
 C    2.553800     -0.1307000     -2.6100000E-02
 C    2.238100       1.224700      3.4499999E-02
 H   -3.029500      -1.910700      0.1030000    
 H   -2.300700      -1.032300       1.451800    
 H  -0.9606000      -2.095300      -1.089700    
 H  -0.6481000      -2.567900      0.5896000    
 H   -1.770400       1.424200       1.157000    
 H   -1.690100       2.016500     -0.5157000    
 H    1.782300      -2.142600     -9.8200001E-02
 H   -4.610900     -0.1889000     -0.4801000    
 H   -4.093400       1.483500     -0.6343000    
 H   -4.107000      0.7112000      0.9664000    
 H   0.6714000       2.690500      0.1236000    
 H    3.027000       1.971600      5.5000000E-02
 H    3.891000      -1.495900     -0.1057000    


%chk=000026458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026458

0 1
O 3.944439 -0.489030 -0.034145
N -2.552407 0.097373 -0.273812
C -2.262134 -1.182047 0.411538
C -0.924508 -1.746754 -0.101535
C -1.582131 1.148860 0.101024
C 0.185464 -0.706574 -0.033469
C -0.135857 0.673409 0.037500
C 1.544938 -1.107277 -0.056565
C -3.942550 0.551958 -0.097541
C 0.915977 1.623003 0.085071
C 2.577426 -0.145266 -0.012614
C 2.267426 1.232123 0.059251
H -3.081053 -1.890373 0.188465
H -2.221869 -1.057211 1.525575
H -1.063285 -2.063770 -1.153788
H -0.644677 -2.647144 0.479435
H -1.786095 1.531330 1.139866
H -1.722060 2.009750 -0.581632
H 1.789011 -2.178059 -0.109212
H -4.638798 -0.227519 -0.454684
H -4.114505 1.463918 -0.698050
H -4.201564 0.789391 0.966689
H 0.672641 2.691527 0.140700
H 3.081060 1.962233 0.091494
H 4.056110 -1.469952 -0.096860


