%chk=000108925.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108925

0 1
 O   -1.801800     -0.8670000     -0.4989000    
 O   0.8502000      -1.821000     -0.5017000    
 N  -0.8898000       1.847300     -0.5261000    
 N    1.878700      0.8910000     -0.5252000    
 C   4.0899999E-02   2.217800      0.5422000    
 C    1.484800       2.196100      1.6799999E-02
 C   -2.212000       1.456400     -3.3700000E-02
 C    2.224800     -7.4500002E-02  0.5212000    
 C   -2.215000      3.3500001E-02  0.5290000    
 C    2.161500      -1.500700     -3.3799998E-02
 C   -1.470000      -2.172800     -2.5599999E-02
 C  -5.2499998E-02  -2.206100      0.5358000    
 H  -4.1099999E-02   1.547000       1.402600    
 H  -0.1991000       3.225300      0.9023000    
 H    1.579900       2.933900     -0.7894000    
 H    2.179100       2.513500      0.8040000    
 H   -2.897300       1.485100     -0.8893000    
 H   -2.586700       2.171700      0.7069000    
 H    1.548700      1.0100000E-02   1.376000    
 H    3.239400      0.1307000      0.8799000    
 H  -0.9832000       2.635400      -1.166600    
 H    1.114300      0.5248000      -1.092800    
 H   -1.569000     -4.1499998E-02   1.408200    
 H   -3.232100     -0.2363000      0.8348000    
 H    2.843400      -1.597700     -0.8862000    
 H    2.480400      -2.228500      0.7216000    
 H   -1.530300      -2.839100     -0.8926000    
 H   -2.203800      -2.510500      0.7145000    
 H   3.5500001E-02  -1.534100       1.392500    
 H   0.1980000      -3.221100      0.8617000    


%chk=000108925-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108925

0 1
O -1.689595 -0.770177 -0.568342
O 1.004780 -2.086878 -0.472359
N -1.014919 2.120443 -0.389847
N 1.663838 0.768458 -0.489856
C 0.089324 2.528656 0.480948
C 1.458227 2.195991 -0.189264
C -2.222273 1.494424 0.143673
C 2.024211 -0.089823 0.647827
C -2.005895 0.041908 0.608057
C 2.213727 -1.541287 0.170413
C -1.416380 -2.179736 -0.274272
C -0.084451 -2.430938 0.446334
H 0.005326 1.970425 1.433327
H 0.065728 3.613759 0.748826
H 1.523156 2.766493 -1.138287
H 2.286535 2.553225 0.455468
H -2.988130 1.481522 -0.653515
H -2.661539 2.053676 1.007440
H 1.284014 -0.072551 1.492996
H 2.988038 0.254574 1.076727
H -1.122879 2.647832 -1.255659
H 0.852898 0.377908 -0.996593
H -1.183924 0.003642 1.355891
H -2.933390 -0.335035 1.099058
H 2.974365 -1.565285 -0.627604
H 2.537782 -2.188789 1.014474
H -1.386341 -2.668011 -1.263061
H -2.244360 -2.625253 0.324877
H -0.024052 -1.842104 1.384374
H -0.017921 -3.508368 0.716048


