%chk=000043774.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043774

0 1
 O    1.632400      0.5473000     -0.6042000    
 O   -1.946200      -1.523300     -0.4005000    
 N  -0.5583000     -7.4699998E-02  0.2490000    
 N  -0.8814000     -0.9577000     -0.6758000    
 C   0.9017000      8.5000005E-03  0.5091000    
 C   -1.094200       1.271100     -1.1200000E-02
 C    1.478300      -1.366200      0.8766000    
 C   -2.550100       1.376400      0.3931000    
 C    3.017700      0.7187000     -0.3362000    
 H    1.049300      0.6673000       1.375800    
 H  -0.5562000       2.014900      0.5918000    
 H  -0.9621000       1.571400      -1.059500    
 H    2.469200      -1.267800       1.333200    
 H    1.594500      -2.010600     -1.9000000E-03
 H   0.8475000      -1.877400       1.612600    
 H   -3.199200      0.7666000     -0.2432000    
 H   -2.698800       1.069500       1.434100    
 H   -2.889000       2.414100      0.3027000    
 H    3.179500       1.216900      0.6246000    
 H    3.436000       1.351300      -1.124400    
 H    3.543400     -0.2395000     -0.3692000    


%chk=000043774-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043774

0 1
O 1.730777 0.499127 -0.577540
O -2.173719 -1.311774 -1.098953
N -0.483522 -0.158176 -0.174664
N -1.010948 -1.385492 -0.554169
C 0.854611 -0.156714 0.421871
C -1.182734 1.121653 -0.438806
C 1.358852 -1.552948 0.806552
C -2.133530 1.523783 0.709446
C 2.974698 1.023524 -0.008364
H 0.818453 0.499933 1.323296
H -0.404216 1.882049 -0.615413
H -1.760339 0.981984 -1.369956
H 2.344123 -1.458552 1.295584
H 1.458288 -2.189537 -0.085290
H 0.666082 -2.046650 1.508177
H -2.924830 0.766878 0.842834
H -1.590661 1.638478 1.665523
H -2.615501 2.489811 0.473989
H 2.777345 1.685645 0.862418
H 3.445805 1.609825 -0.812400
H 3.664965 0.213954 0.302366


