%chk=000072372.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072372

0 1
 O    2.276000       2.527500      -1.468600    
 O    4.556900      -1.233800      -1.192800    
 N  -0.2175000     -0.3865000      0.5718000    
 N   -1.470500      -1.840200     -0.5642000    
 N   -1.847700       1.379400      0.9259000    
 N   -4.004700      0.8067000     -6.1999999E-02
 N   -4.382600      -1.255900      -1.215100    
 C    1.914500       1.037100      0.3633000    
 C   0.9564000      0.1814000       1.238300    
 C    3.196500      0.1887000      0.1595000    
 C    1.879800     -0.8401000       1.831800    
 C    3.084200     -0.8336000       1.251900    
 C    1.316000       1.660100     -0.8920000    
 C    3.369500     -0.4624000      -1.207400    
 C   -1.452800      0.1862000      0.4570000    
 C  -0.2786000      -1.602100     -5.7799999E-02
 C   -2.214500     -0.7308000     -0.2497000    
 C   -3.537400     -0.3848000     -0.5062000    
 C   -3.143500       1.603100      0.6164000    
 H    2.231300       1.878100       1.003100    
 H   0.5637000      0.8054000       2.052000    
 H    4.076700      0.8119000      0.3664000    
 H    1.600700      -1.506600       2.636000    
 H    3.888700      -1.497800       1.535800    
 H   0.4296000       2.256100     -0.6541000    
 H    1.031600      0.9118000      -1.637200    
 H    3.462100      0.2773000      -2.007400    
 H    2.536200      -1.128600      -1.452000    
 H   0.5658000      -2.274100     -0.1288000    
 H    2.474700       3.224600     -0.8204000    
 H    5.300500     -0.6300000      -1.025500    
 H   -3.551100       2.548900      0.9570000    
 H   -4.036200      -2.145500      -1.547900    
 H   -5.339900     -0.9818000      -1.389200    


%chk=000072372-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072372

0 1
O 2.231823 2.539916 -1.547509
O 4.548320 -1.295322 -1.294366
N -0.162370 -0.418074 0.615634
N -1.430119 -1.915021 -0.585686
N -1.849139 1.383525 0.918735
N -4.003781 0.814010 -0.126792
N -4.376440 -1.212429 -1.285747
C 1.943696 1.075279 0.446464
C 0.979202 0.207956 1.342813
C 3.219800 0.191116 0.202894
C 1.909671 -0.843792 1.927862
C 3.120323 -0.847809 1.311171
C 1.284099 1.685928 -0.803489
C 3.330998 -0.469152 -1.197381
C -1.424484 0.167805 0.463496
C -0.226830 -1.662789 -0.032797
C -2.190393 -0.770632 -0.278736
C -3.535838 -0.400714 -0.573142
C -3.152862 1.620322 0.580308
H 2.258739 1.916401 1.098208
H 0.499855 0.845454 2.108219
H 4.129425 0.813278 0.330481
H 1.591468 -1.519398 2.727718
H 3.940534 -1.537515 1.530999
H 0.378651 2.256348 -0.515987
H 0.985854 0.914194 -1.531014
H 3.313241 0.309099 -1.984351
H 2.506189 -1.180138 -1.370783
H 0.620194 -2.344085 -0.051177
H 2.404029 3.360129 -1.020251
H 5.335277 -0.695826 -1.338146
H -3.572204 2.574779 0.912526
H -4.045347 -2.114000 -1.622473
H -5.327182 -0.899141 -1.469800


