%chk=000050394.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050394

0 1
 O  -9.7099997E-02  -1.886700      0.5412000    
 O  -0.8660000      -2.648700      -1.496400    
 N    2.702700      0.1606000      0.4707000    
 C    2.670200       1.615300      0.6773000    
 C    4.056600     -0.2971000      0.1281000    
 C    3.133400       2.360900     -0.5751000    
 C    4.565100      0.3860000      -1.142600    
 C    4.520800       1.904000      -1.011300    
 C    2.212800     -0.5360000       1.659900    
 C    2.134100      -2.036900       1.399300    
 C    1.208800      -2.353600      0.2321000    
 C   -2.903200     -0.4555000     -0.8493000    
 C   -2.373900      -1.549300      6.1700001E-02
 C   -1.051700      -2.099600     -0.4191000    
 C   -1.929500      0.6923000     -0.9255000    
 C   -4.331900     -0.1200000     -0.5066000    
 C   -1.922500       1.854400     -0.2594000    
 C   -4.820700      0.8744000      0.2460000    
 C   -2.828700       2.279300      0.7754000    
 C   -4.079400       1.856400      0.9934000    
 H    1.645800       1.935400      0.9038000    
 H    3.298400       1.903100       1.530600    
 H    4.755900     -0.1087000      0.9533000    
 H    4.086800      -1.367800     -9.1100000E-02
 H    3.143200       3.439500     -0.3815000    
 H    2.418600       2.188700      -1.390000    
 H    3.951700      7.5199999E-02  -1.998100    
 H    5.591700      6.4099997E-02  -1.351600    
 H    4.788800       2.372400      -1.964700    
 H    5.262800       2.229400     -0.2718000    
 H    2.863200     -0.3513000       2.524700    
 H    1.216800     -0.1630000       1.929700    
 H    1.713800      -2.496100       2.304300    
 H    3.113200      -2.504700       1.263500    
 H    1.561700      -1.903600     -0.7023000    
 H    1.173200      -3.441300      9.6600004E-02
 H   -2.947200     -0.8514000      -1.875200    
 H   -2.267400      -1.181600       1.091200    
 H   -3.067300      -2.398400      0.1142000    
 H   -1.112900      0.5455000      -1.633600    
 H   -5.066800     -0.8004000     -0.9381000    
 H   -1.111500       2.550800     -0.4638000    
 H   -5.900100      0.9306000      0.3731000    
 H   -2.433700       3.052700       1.431500    
 H   -4.631400       2.309900       1.814600    


%chk=000050394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050394

0 1
O -0.193363 -1.945273 0.601755
O -0.846712 -2.157644 -1.625616
N 2.899354 0.066538 0.472021
C 2.566927 1.511017 0.375135
C 4.365904 -0.155928 0.413675
C 3.104545 2.116658 -0.937808
C 4.961875 0.394343 -0.898336
C 4.629918 1.894761 -1.060951
C 2.261389 -0.592598 1.638108
C 2.079050 -2.115008 1.436569
C 1.177237 -2.435886 0.245463
C -3.112747 -0.383783 -0.992141
C -2.449874 -1.320702 0.060399
C -1.112687 -1.843910 -0.440602
C -2.302335 0.882784 -1.242529
C -4.523705 0.026741 -0.595064
C -2.052985 1.854212 -0.298453
C -4.841692 0.782273 0.511599
C -2.672203 1.987596 1.009985
C -3.922506 1.506539 1.373859
H 1.466012 1.613711 0.417566
H 2.991656 2.085259 1.242382
H 4.878014 0.335632 1.285163
H 4.567758 -1.240134 0.489283
H 2.863154 3.196909 -0.970942
H 2.589302 1.629949 -1.788488
H 4.536092 -0.173641 -1.748065
H 6.057422 0.233794 -0.901193
H 5.000217 2.272388 -2.032857
H 5.149939 2.472992 -0.268749
H 2.835331 -0.412037 2.582291
H 1.259644 -0.146076 1.776838
H 1.652739 -2.554387 2.358725
H 3.057593 -2.605935 1.269196
H 1.513717 -1.907752 -0.663004
H 1.109439 -3.519986 0.042098
H -3.157579 -0.953219 -1.937211
H -2.313582 -0.813249 1.027472
H -3.116967 -2.189136 0.232020
H -1.853150 0.992044 -2.238295
H -5.344196 -0.339789 -1.227640
H -1.334585 2.642727 -0.568146
H -5.908471 0.888324 0.757916
H -2.156307 2.638762 1.729547
H -4.311382 1.809318 2.356126


