%chk=000126843.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126843

0 1
 O   -1.091700      0.1242000      -1.520800    
 O   -4.294400      -2.014900      -1.618600    
 O    3.925200       3.099100     -0.1652000    
 O   -4.686400      0.1910000      -1.198500    
 O    1.623900       2.920600       1.312600    
 N   -2.443900      0.2424000      0.3538000    
 N   0.6423000       1.781800     -0.4556000    
 N    5.003100      0.5138000     -0.5212000    
 N    2.313900      -5.518400      9.4800003E-02
 C   -3.109500      -1.039100      0.1601000    
 C   -3.784800      -1.330600       1.495300    
 C   -4.070500      5.9099998E-02   2.059300    
 C   -2.873500      0.8766000       1.597500    
 C   -1.427000      0.6864000     -0.4770000    
 C  -0.7288000       1.946900     -3.2600001E-02
 C   -4.110000     -0.8555000     -0.9412000    
 C    3.690100      0.6947000      0.1101000    
 C    2.809500     -0.5437000     -0.1603000    
 C    3.055800       2.003100     -0.4083000    
 C    3.450700      -1.851600      0.3240000    
 C    1.714500       2.289000      0.2619000    
 C   -1.367700       3.175700     -0.6494000    
 C    2.577700      -3.059300     -3.4699999E-02
 C    3.181500      -4.391200      0.4140000    
 H   -2.372200      -1.796500     -0.1268000    
 H   -4.691900      -1.936000       1.407200    
 H   -3.084700      -1.853100       2.158400    
 H   -4.186800      6.1400000E-02   3.146600    
 H   -4.991900      0.4584000       1.619200    
 H   -3.120300       1.929500       1.442100    
 H   -2.053800      0.7983000       2.320100    
 H  -0.7244000       2.043900       1.055500    
 H    3.857000      0.7789000       1.191300    
 H    1.847800     -0.4354000      0.3535000    
 H    2.595100     -0.6175000      -1.234400    
 H    2.911200       1.952200      -1.494300    
 H   0.8203000       1.301400      -1.333500    
 H    3.597000      -1.809400       1.409900    
 H    4.437200      -1.990900     -0.1320000    
 H  -0.8357000       4.084900     -0.3496000    
 H   -2.415100       3.278200     -0.3496000    
 H   -1.344200       3.127700      -1.744400    
 H    1.589400      -2.933700      0.4262000    
 H    2.420100      -3.080800      -1.120800    
 H    4.888900      0.4264000      -1.530600    
 H    5.568900       1.348900     -0.3734000    
 H    3.356900      -4.376700       1.495200    
 H    4.153000      -4.543100     -6.8700001E-02
 H   -4.947800      -1.915600      -2.343600    
 H    4.134300       3.110000      0.7845000    
 H    1.404700      -5.384100      0.5359000    
 H    2.135800      -5.537500     -0.9088000    


%chk=000126843-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126843

0 1
O -1.326971 -0.081201 -1.325576
O -4.989314 -1.470682 -1.750882
O 3.904129 3.072869 -0.423815
O -4.748271 0.813050 -1.381255
O 1.672918 2.988894 1.054101
N -2.682101 0.247846 0.523964
N 0.586923 1.569059 -0.431444
N 5.191527 0.597153 -0.528228
N 3.174639 -5.804416 0.245327
C -3.602754 -0.829094 0.103835
C -4.459436 -1.083804 1.378904
C -4.501872 0.306961 2.062069
C -3.087121 0.881016 1.810842
C -1.602294 0.569450 -0.260782
C -0.743405 1.775399 0.161116
C -4.473271 -0.363866 -1.071840
C 3.795900 0.633743 -0.050361
C 3.087305 -0.697916 -0.382465
C 3.049639 1.899078 -0.632684
C 3.730356 -1.917073 0.317131
C 1.704532 2.189155 0.052817
C -1.379827 3.100227 -0.347925
C 3.096627 -3.260111 -0.108977
C 3.717184 -4.481484 0.622371
H -3.044937 -1.720279 -0.225895
H -5.456650 -1.485559 1.138898
H -3.937372 -1.818456 2.017730
H -4.737810 0.246543 3.136875
H -5.257224 0.947610 1.574708
H -3.094307 1.980758 1.733028
H -2.384128 0.591810 2.616785
H -0.625806 1.829876 1.258739
H 3.822947 0.768235 1.050739
H 2.020523 -0.638795 -0.092152
H 3.108909 -0.854163 -1.484162
H 2.925223 1.773137 -1.726049
H 0.607623 0.942920 -1.246090
H 3.633041 -1.794133 1.416364
H 4.815886 -1.919251 0.103151
H -0.727872 3.942142 -0.062426
H -2.382573 3.266008 0.083275
H -1.481425 3.072617 -1.446172
H 2.002461 -3.242008 0.083981
H 3.217718 -3.398201 -1.204580
H 5.257568 0.306581 -1.513893
H 5.644807 1.511198 -0.393159
H 3.586552 -4.357285 1.715428
H 4.809847 -4.496981 0.442713
H -5.561529 -1.163858 -2.505488
H 3.526001 3.531569 0.382807
H 2.181178 -5.921992 0.472145
H 3.365108 -6.064396 -0.728442


