%chk=000087608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087608

0 1
 O   -2.499600       2.177800      0.6985000    
 O   -4.011100     -0.1492000       1.493400    
 O   -1.716300       1.160300      -1.900100    
 O   -4.390000      -1.885500     -0.8214000    
 O   -1.940900      -3.476200     -6.5899998E-02
 O   0.3680000       2.651700      -1.247000    
 N   0.9242000       1.371800      0.6053000    
 C   -2.077800      0.8291000      0.4566000    
 C   -3.349900     -4.6999999E-03  0.2277000    
 C   -1.060100      0.7987000     -0.6923000    
 C   -3.122000      -1.407900     -0.3538000    
 C    3.371800       1.524400      0.2999000    
 C    3.608500      5.0299998E-02  0.6452000    
 C    2.123500       2.088800      0.9711000    
 C   0.1408000       1.715800     -0.4815000    
 C    4.832600     -0.4996000     -9.1399997E-02
 C   -2.570800      -2.417800      0.6507000    
 C    5.098300      -1.979300      0.1944000    
 C    6.270700      -2.548700     -0.5895000    
 H   -1.598600      0.4978000       1.385700    
 H   -4.043300      0.5557000     -0.4123000    
 H  -0.6648000     -0.2162000     -0.8162000    
 H   -2.492500      -1.363000      -1.246900    
 H    3.276400       1.630000     -0.7879000    
 H    4.241500       2.117900      0.6058000    
 H    2.733600     -0.5500000      0.3701000    
 H    3.748900     -5.7700001E-02   1.727300    
 H    2.005400       3.144200      0.7023000    
 H    2.216500       2.027300       2.060600    
 H    4.692300     -0.3657000      -1.171400    
 H    5.718200      8.4799998E-02  0.1873000    
 H   -1.806400      -1.966300       1.289800    
 H   -3.362400      -2.850500       1.270700    
 H   0.6674000      0.5653000       1.166600    
 H    5.287500      -2.113100       1.266100    
 H    4.200800      -2.562100     -4.4799998E-02
 H   -1.724200       2.682100      0.9973000    
 H   -4.836100     -0.6394000       1.335200    
 H   -1.094100      0.9995000      -2.630100    
 H   -4.247200      -2.772900      -1.193000    
 H    6.095400      -2.468700      -1.667000    
 H    7.195400      -2.013700     -0.3511000    
 H    6.414800      -3.605500     -0.3448000    
 H   -1.596100      -4.101300      0.5944000    


%chk=000087608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087608

0 1
O -2.306104 2.040528 0.945908
O -4.042497 -0.180496 1.652829
O -1.848738 0.944156 -1.908701
O -4.956151 -1.617005 -0.469277
O -3.238016 -3.652792 -0.528901
O 0.221673 2.504554 -1.314949
N 0.934054 1.239387 0.510353
C -2.065035 0.645491 0.558106
C -3.458273 0.043724 0.323277
C -1.143187 0.571994 -0.699620
C -3.518002 -1.278922 -0.474490
C 3.418262 1.460223 0.090789
C 3.829913 0.064747 0.611017
C 2.153114 2.038865 0.765943
C 0.076656 1.515037 -0.531248
C 5.125233 -0.463471 -0.046409
C -2.750755 -2.444874 0.172880
C 5.537508 -1.866376 0.455127
C 6.834848 -2.381902 -0.204376
H -1.584013 0.083564 1.391695
H -4.048108 0.787116 -0.247317
H -0.779569 -0.469166 -0.827094
H -3.175491 -1.113679 -1.512574
H 3.253105 1.424129 -1.003306
H 4.248496 2.174971 0.262410
H 3.012095 -0.662229 0.421371
H 3.969756 0.106184 1.712411
H 1.952799 3.052787 0.379346
H 2.299026 2.104889 1.861170
H 4.991649 -0.493258 -1.147689
H 5.951856 0.251640 0.146703
H -1.656493 -2.335136 0.028402
H -2.987966 -2.488065 1.254805
H 0.785593 0.388878 1.057289
H 5.667288 -1.836771 1.556418
H 4.712345 -2.581165 0.257635
H -1.504898 2.399908 1.405688
H -4.934362 -0.585532 1.478023
H -1.502771 1.845979 -2.171305
H -5.014661 -2.574555 -0.733642
H 6.721938 -2.448274 -1.302913
H 7.682623 -1.702469 0.004277
H 7.107484 -3.386216 0.168223
H -2.943925 -4.468099 -0.054685


