%chk=000127544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127544

0 1
 O    2.754100      -1.445400      0.4847000    
 O   0.2767000      -1.039900      0.3031000    
 O   -5.150100      -1.689900      0.6520000    
 O   -5.846100      0.3412000       1.109400    
 N    3.003400     -0.3062000     -0.2379000    
 N   -1.902400      0.4061000     -0.8884000    
 N   -3.610000       1.447200      3.0200001E-02
 N   -4.974800     -0.4379000      0.6271000    
 C    3.047900      0.8995000      0.6797000    
 C    4.321500     -0.4297000     -0.9763000    
 C    1.889800     -0.1324000      -1.233900    
 C    4.214400      0.8326000       1.658000    
 C    5.506800     -0.5169000     -2.2700001E-02
 C    5.542300      0.6775000      0.9247000    
 C   0.5392000      6.9799997E-02 -0.5551000    
 C  -0.6131000      0.2121000      -1.553900    
 C   -2.749800     -0.5794000     -0.5088000    
 C   -2.442600       1.602500     -0.5536000    
 C   -3.807200      8.9299999E-02  6.1799999E-02
 H    2.128700      0.9187000       1.268300    
 H    3.109600       1.787100      4.0300000E-02
 H    4.403200      0.4503000      -1.624600    
 H    4.248600      -1.332000      -1.593600    
 H    1.892600      -1.048900      -1.836700    
 H    2.147600      0.7236000      -1.867200    
 H    4.079100     -1.2800000E-02   2.343500    
 H    4.235000       1.741000       2.270300    
 H    6.438900     -0.5608000     -0.5967000    
 H    5.447100      -1.442100      0.5629000    
 H    5.755300       1.590600      0.3554000    
 H    6.355100      0.5540000       1.648900    
 H   0.5283000      0.9722000      6.3400000E-02
 H  -0.7149000     -0.6924000      -2.165800    
 H  -0.4580000       1.065100      -2.224000    
 H   0.9289000      -1.020000       1.022700    
 H   -2.544700      -1.629600     -0.6669000    
 H   -1.957500       2.549000     -0.7498000    


%chk=000127544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127544

0 1
O 2.800253 -1.541003 0.193276
O 0.317186 -1.065854 0.226290
O -4.432838 -1.179902 1.899096
O -5.903048 0.426184 1.191357
N 3.001514 -0.180318 -0.291064
N -1.960366 0.370054 -1.074499
N -4.026878 1.269405 -0.756405
N -4.774672 -0.190025 1.128953
C 3.030984 0.796603 0.899481
C 4.341956 -0.136209 -1.040235
C 1.866381 0.158385 -1.272410
C 4.190237 0.453143 1.845742
C 5.502081 -0.488548 -0.099650
C 5.549644 0.467969 1.112371
C 0.480344 0.125010 -0.581371
C -0.626077 0.152668 -1.663670
C -2.530500 -0.351136 -0.030554
C -2.899550 1.333534 -1.480765
C -3.796693 0.226208 0.140406
H 2.064059 0.685914 1.413306
H 3.128503 1.821730 0.490839
H 4.453771 0.882900 -1.461283
H 4.246034 -0.870015 -1.856659
H 1.932384 -0.627176 -2.044912
H 2.064658 1.151666 -1.718020
H 4.000531 -0.550111 2.266812
H 4.179476 1.178908 2.680259
H 6.442870 -0.444536 -0.679559
H 5.359992 -1.528478 0.242933
H 5.787641 1.498132 0.773753
H 6.355559 0.162527 1.803707
H 0.357115 1.037866 0.045653
H -0.610840 -0.816013 -2.196141
H -0.453637 0.967100 -2.392554
H 1.290237 -1.473957 0.344182
H -1.994874 -1.142629 0.483752
H -2.710537 2.033106 -2.291916


