%chk=000063889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063889

0 1
 O   0.8505000       1.860900      0.6930000    
 N   0.4706000     -0.4375000      0.6035000    
 N   -1.713000     -0.1515000     -0.2203000    
 N    2.221400      -1.937600      2.2500001E-02
 C  -0.9282000     -0.3026000      0.9794000    
 C    2.659100      0.4793000      0.1068000    
 C    1.249900      0.7175000      0.4951000    
 C    3.085100     -0.8376000     -0.1129000    
 C   0.9990000      -1.692500      0.3621000    
 C   -3.093900     -3.6100000E-02 -0.2259000    
 C    3.544700       1.552600     -3.6600001E-02
 C    4.416400      -1.063000     -0.4798000    
 C    4.867900       1.310400     -0.4026000    
 C    5.303600      5.2999998E-03 -0.6240000    
 C   -3.825300     -6.1299998E-02  0.9763000    
 C   -3.802000      0.1101000      -1.433400    
 C   -5.215200      5.5900000E-02  0.9713000    
 C   -5.192000      0.2273000      -1.438400    
 C   -5.898600      0.2002000     -0.2362000    
 H   -1.228900      -1.204600       1.524800    
 H   -1.045900      0.5686000       1.633400    
 H   -1.227100     -0.1264000      -1.109400    
 H   0.2802000      -2.518500      0.4783000    
 H    3.224100       2.576800      0.1315000    
 H    4.771900      -2.075400     -0.6561000    
 H    5.560100       2.139800     -0.5155000    
 H    6.334900     -0.1815000     -0.9092000    
 H   -3.333800     -0.1706000       1.939400    
 H   -3.266700      0.1335000      -2.380100    
 H   -5.765900      3.5100002E-02   1.907200    
 H   -5.724200      0.3397000      -2.378400    
 H   -6.980800      0.2915000     -0.2401000    


%chk=000063889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063889

0 1
O 0.817424 2.391128 -0.037989
N 0.207826 0.494492 1.190440
N -1.958959 1.480338 0.506128
N 1.549138 -1.507984 1.301250
C -1.051791 1.227077 1.592652
C 2.309416 0.452617 -0.036884
C 1.100888 1.208264 0.333874
C 2.492741 -0.882929 0.457630
C 0.478038 -0.805426 1.618425
C -2.864262 0.545208 -0.035189
C 3.288861 1.041523 -0.879329
C 3.661833 -1.604675 0.090538
C 4.438204 0.315967 -1.231304
C 4.621880 -1.010096 -0.744194
C -3.125040 -0.716893 0.569388
C -3.573527 0.890878 -1.222020
C -4.077057 -1.593399 0.004692
C -4.516902 0.005725 -1.777686
C -4.781054 -1.245419 -1.169485
H -1.528747 0.632917 2.389947
H -0.724523 2.193868 2.007855
H -1.705488 2.279088 -0.078696
H -0.273856 -1.255035 2.276797
H 3.118481 2.061658 -1.238691
H 3.780968 -2.621323 0.476570
H 5.194868 0.767207 -1.881600
H 5.520490 -1.570791 -1.023998
H -2.595535 -1.027483 1.476154
H -3.381375 1.859341 -1.700929
H -4.261950 -2.560321 0.486801
H -5.049056 0.294730 -2.691196
H -5.514036 -1.932453 -1.604251


