%chk=000135509.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135509

0 1
 O    3.866000      -1.223700      -1.098700    
 O   0.8145000      -2.066200     -0.9273000    
 O   -3.923900      -1.370200      8.9999996E-03
 O   -4.297000       1.385100     -2.7999999E-03
 N    2.022200     -0.4124000      9.7499996E-02
 N   0.3709000       2.165400     -0.3579000    
 C    2.223800      0.9308000      0.6263000    
 C    3.730300       1.005000      0.9096000    
 C    3.247400      -1.199800      0.1814000    
 C    4.109400     -0.4454000       1.183400    
 C    1.796300       1.959400     -0.4019000    
 C   0.8499000     -0.9489000     -0.4049000    
 C  -0.4384000     -0.1981000     -0.2858000    
 C  -0.6145000       1.199100     -0.2902000    
 C   -1.573800      -1.037500     -0.1844000    
 C   -1.941800       1.687600     -0.1914000    
 C   -2.864200     -0.5218000     -8.9400001E-02
 C   -3.050100      0.8479000     -9.4599999E-02
 C   -4.327000      -1.756300       1.322000    
 H    1.658700       1.013700       1.563200    
 H    3.961100       1.666100       1.750300    
 H    4.282100       1.369300      3.3700000E-02
 H    3.039200      -2.228600      0.4913000    
 H    5.180900     -0.6200000       1.051400    
 H    3.823600     -0.7099000       2.208300    
 H    2.276500       2.921500     -0.1880000    
 H    2.097100       1.670000      -1.416300    
 H   6.1799999E-02   3.131000     -0.4115000    
 H    3.204700      -1.561100      -1.726100    
 H   -1.462100      -2.121100     -0.1687000    
 H   -2.106100       2.766000     -0.1883000    
 H   -4.228200       2.355100     -2.0800000E-02
 H   -4.625500     -0.8805000       1.906800    
 H   -3.517200      -2.289600       1.830100    
 H   -5.186000      -2.427000       1.233200    


%chk=000135509-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135509

0 1
O 3.715002 -1.642835 -1.013871
O 0.997652 -2.125298 -0.548709
O -3.837805 -1.609062 -0.211415
O -4.406595 1.175625 0.138304
N 2.133966 -0.348989 0.337390
N 0.334067 2.230914 0.023985
C 2.453235 1.064410 0.656369
C 3.997802 1.106257 0.520403
C 3.344636 -1.227198 0.332669
C 4.447862 -0.323199 0.904668
C 1.743400 2.044359 -0.301614
C 0.950405 -0.905668 -0.130275
C -0.367225 -0.185774 -0.084801
C -0.634372 1.223248 0.023816
C -1.488080 -1.067970 -0.143235
C -1.993170 1.652106 0.111580
C -2.819379 -0.648243 -0.060318
C -3.068516 0.751201 0.075375
C -4.828972 -1.695551 0.881226
H 2.142799 1.305540 1.693557
H 4.443028 1.889863 1.156715
H 4.269681 1.310036 -0.532035
H 3.124274 -2.118294 0.950716
H 5.421621 -0.603963 0.474987
H 4.497328 -0.437296 2.002688
H 2.235268 3.030968 -0.226621
H 1.884823 1.673333 -1.339472
H -0.007126 3.188120 0.092387
H 2.945298 -2.198465 -1.327584
H -1.282366 -2.135092 -0.265342
H -2.201242 2.729824 0.182731
H -4.461279 2.163302 0.164448
H -5.395776 -0.753826 0.978424
H -4.328943 -1.939277 1.839445
H -5.500701 -2.518205 0.591909


