%chk=000051814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051814

0 1
 O    1.955500       2.206100      8.3999997E-03
 N  -0.5708000      -1.776400     -7.3000002E-03
 N    1.198600      -3.122900     -7.8999996E-03
 N   0.5384000      0.3833000      3.5000001E-03
 N    2.965300      0.1266000      7.4999998E-03
 N    4.030700      -2.016300      2.6000000E-03
 C   -1.979400      -1.360400     -2.0000001E-03
 C   -2.361800     -0.5816000      -1.271600    
 C   -2.353300     -0.5842000       1.271800    
 C   -3.837500     -0.1870000      -1.257900    
 C   -3.829000     -0.1897000       1.268700    
 C   -4.203100      0.5841000      7.4000000E-03
 C   0.5180000     -0.9581000     -1.8000000E-03
 C  -0.1169000      -3.064900     -1.0100000E-02
 C    1.608400      -1.813300     -2.7000001E-03
 C    2.869200      -1.224900      1.9000000E-03
 C    1.811100      0.8361000      7.8999996E-03
 C   0.7585000       2.968800      4.1000000E-03
 C    1.117100       4.446700     -1.6000001E-02
 C  -0.1190000       5.328000     -6.5000001E-03
 H   -2.556800      -2.296000     -8.9999998E-04
 H   -2.153800      -1.188500      -2.161300    
 H   -1.755200      0.3270000      -1.366100    
 H   -1.746700      0.3245000       1.364500    
 H   -2.139200      -1.192800       2.158900    
 H   -4.456900      -1.089700      -1.327100    
 H   -4.063400      0.4232000      -2.139700    
 H   -4.049100      0.4187000       2.153200    
 H   -4.448000      -1.092600       1.340100    
 H   -3.686000       1.551600      6.6999998E-03
 H   -5.278200      0.7964000      1.1200000E-02
 H  -0.7809000      -3.918600     -1.3000000E-02
 H    4.935300      -1.565300      6.6999998E-03
 H    3.961600      -3.025000     -8.9999998E-04
 H   0.1712000       2.750200      0.9050000    
 H   0.1620000       2.731000     -0.8859000    
 H    1.749300       4.683900      0.8482000    
 H    1.724300       4.666100     -0.9024000    
 H  -0.7194000       5.152300      0.8918000    
 H   0.1681000       6.384000     -2.1700000E-02
 H  -0.7460000       5.133900     -0.8825000    


%chk=000051814-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051814

0 1
O 1.983312 2.234358 -0.004394
N -0.623328 -1.835742 0.001788
N 1.236329 -3.194065 -0.000070
N 0.518212 0.384394 -0.000378
N 2.971448 0.160096 -0.004856
N 4.060583 -1.929137 -0.005613
C -2.057038 -1.450234 0.002837
C -2.424059 -0.657523 -1.277852
C -2.421968 -0.655927 1.283097
C -3.922619 -0.272096 -1.271367
C -3.920576 -0.270559 1.278456
C -4.294005 0.522952 0.003364
C 0.486372 -0.982635 0.000076
C -0.108025 -3.145427 0.001846
C 1.618685 -1.840170 -0.001308
C 2.898530 -1.204781 -0.004007
C 1.797975 0.862473 -0.002732
C 0.764690 3.080823 -0.001985
C 1.244766 4.533511 -0.010734
C 0.054435 5.518532 -0.001195
H -2.627022 -2.402709 0.003866
H -2.179902 -1.263240 -2.171126
H -1.799149 0.254677 -1.313657
H -1.797079 0.256376 1.316739
H -2.176397 -1.260473 2.176773
H -4.544094 -1.190759 -1.321231
H -4.156930 0.319226 -2.176986
H -4.153524 0.321826 2.183732
H -4.541910 -1.189202 1.330364
H -3.748623 1.488659 0.002357
H -5.375060 0.760971 0.004097
H -0.764255 -4.013665 0.003063
H 4.950893 -1.436238 -0.007486
H 4.019595 -2.945851 -0.004946
H 0.161966 2.848470 0.897249
H 0.152043 2.840230 -0.892170
H 1.890178 4.703920 0.870799
H 1.872693 4.699570 -0.905614
H -0.572779 5.382487 0.900039
H 0.410049 6.564065 -0.008261
H -0.592214 5.377118 -0.887776


