%chk=000047510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047510

0 1
 O  -0.9731000     -9.9999998E-03  -1.277300    
 N   0.2145000      6.8000001E-03  0.7493000    
 N   -2.089200      8.6000003E-03  0.7713000    
 N   -3.706700     -6.6999998E-03 -0.8862000    
 N   -4.320600      1.3300000E-02   1.428500    
 C    1.564200      2.4000001E-03  0.3261000    
 C    2.217100       1.208300      0.1173000    
 C    2.212500      -1.207600      0.1271000    
 C    3.548400       1.204200     -0.2995000    
 C    3.543700      -1.211800     -0.2899000    
 C    4.211900     -5.9000002E-03 -0.5030000    
 C    1.534000       2.520800      0.3269000    
 C    1.525000      -2.516100      0.3472000    
 C  -0.9351000      1.2000001E-03 -5.0000001E-02
 C   -3.433500      4.9000001E-03  0.3779000    
 C   -5.113200     -1.2300000E-02  -1.265700    
 H    4.084000       2.134200     -0.4710000    
 H    4.075600      -2.145200     -0.4542000    
 H   7.7200003E-02  0.3801000       1.685900    
 H    5.248300     -9.2000002E-03 -0.8278000    
 H    2.213000       3.364700      0.1626000    
 H   0.6985000       2.633300     -0.3717000    
 H    1.161700       2.601700       1.353600    
 H   0.7172000      -2.649300     -0.3797000    
 H    2.212100      -3.361900      0.2347000    
 H    1.112800      -2.569600       1.360400    
 H   -1.922800      1.2400000E-02   1.773700    
 H   -3.994200      2.2000000E-02   2.388900    
 H   -5.324600      1.1600000E-02   1.287800    
 H   -5.625600     -0.9060000     -0.8946000    
 H   -5.186500     -2.2800000E-02  -2.357700    
 H   -5.628100      0.8868000     -0.9116000    


%chk=000047510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047510

0 1
O -0.937516 -1.000582 -0.860249
N 0.188860 0.297102 0.762476
N -2.093700 -0.121009 1.005867
N -3.691741 0.586956 -0.586327
N -4.312446 -0.833887 1.294155
C 1.537172 0.140285 0.296850
C 2.281988 1.324088 0.007749
C 2.126237 -1.152858 0.180340
C 3.627595 1.196784 -0.406226
C 3.471880 -1.233555 -0.257848
C 4.222481 -0.075705 -0.548842
C 1.636379 2.694772 0.123909
C 1.366293 -2.415933 0.527137
C -0.944340 -0.320206 0.195080
C -3.423661 -0.101296 0.486718
C -5.024865 0.485735 -1.203357
H 4.203868 2.101358 -0.633736
H 3.934085 -2.223002 -0.355507
H 0.005296 1.121081 1.340197
H 5.263114 -0.162715 -0.880018
H 2.311928 3.477014 -0.260453
H 0.692621 2.746803 -0.450867
H 1.399366 2.964559 1.174328
H 0.646555 -2.670783 -0.272403
H 2.058099 -3.264154 0.666189
H 0.778087 -2.289684 1.455731
H -1.969635 0.086604 1.999062
H -3.967612 -1.630580 1.827007
H -5.312359 -0.776890 1.114242
H -5.520489 -0.506404 -1.083085
H -4.925590 0.680722 -2.284731
H -5.709449 1.258282 -0.794089


