%chk=000020872.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020872

0 1
 O   -4.231100       1.480200     -0.4556000    
 N   -4.236500     -0.8269000     -7.8699999E-02
 N    1.980100      0.8088000      0.3605000    
 N    4.021400     -7.9099998E-02  0.7488000    
 N    2.161300      -1.545700      0.8051000    
 N    6.112400     -1.1800000E-02 -0.2822000    
 N    4.309600     -0.4737000      -1.605900    
 C   -2.176200      0.5259000     -7.0400000E-02
 C   -3.619600      0.4295000     -0.2205000    
 C   -1.347800      0.3714000      -1.181900    
 C   -1.620300      0.7749000       1.184500    
 C   0.5860000      0.7146000      0.2155000    
 C   3.6400001E-02  0.4660000      -1.038500    
 C  -0.2360000      0.8695000       1.327700    
 C   -5.677200      -1.001200     -0.1989000    
 C   -3.473000      -2.041600      0.1989000    
 C    2.660100     -0.2727000      0.6240000    
 C    4.750400     -0.1882000     -0.3325000    
 H   -1.770200      0.1770000      -2.164500    
 H   -2.256400      0.8968000       2.057500    
 H   0.6747000      0.3443000      -1.909600    
 H   0.1886000       1.063900       2.308900    
 H   -5.882600      -1.696500      -1.017700    
 H   -6.171800     -4.8799999E-02 -0.4055000    
 H   -6.063900      -1.409700      0.7390000    
 H   -2.398100      -1.884200      0.2820000    
 H   -3.656000      -2.755600     -0.6101000    
 H   -3.833900      -2.467400       1.140200    
 H    2.781700      -2.320100       1.015500    
 H    1.171800      -1.755100      0.7351000    
 H    6.580800      0.2050000      0.5909000    
 H    6.688600     -9.3800001E-02  -1.112700    
 H    3.329000     -0.6296000      -1.811600    
 H    4.957900     -0.5359000      -2.383400    


%chk=000020872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020872

0 1
O -4.076664 0.877913 -1.625111
N -4.453069 -0.583532 0.149303
N 2.164453 -0.143008 -0.443762
N 4.320288 -0.722536 0.466070
N 2.470891 -1.890912 1.194253
N 6.336128 0.275351 -0.096326
N 4.355476 1.029937 -1.173420
C -2.115887 -0.068762 -0.583759
C -3.602906 0.101019 -0.729122
C -1.324294 -0.032162 -1.763631
C -1.448352 -0.112740 0.668711
C 0.755137 -0.171695 -0.444186
C 0.076952 -0.093545 -1.698348
C -0.042502 -0.160566 0.743716
C -5.892187 -0.274103 0.111416
C -4.084018 -1.767416 0.941040
C 2.942500 -0.873277 0.376981
C 4.966938 0.198500 -0.275476
H -1.834504 0.061461 -2.728076
H -2.028114 -0.062650 1.597864
H 0.681004 -0.074981 -2.611630
H 0.448859 -0.131182 1.722970
H -6.465199 -1.089396 -0.374781
H -6.035408 0.647614 -0.471832
H -6.278150 -0.136916 1.139392
H -3.066588 -2.099480 0.690008
H -4.785464 -2.595252 0.714945
H -4.134774 -1.567435 2.030234
H 3.159543 -2.429161 1.713536
H 1.494355 -2.172913 1.173861
H 6.747977 -0.363183 0.578998
H 6.919441 0.939390 -0.596247
H 3.307623 0.861204 -1.211794
H 4.860716 1.714616 -1.731899


