%chk=000052065.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052065

0 1
 O    5.100200       2.264500      0.5060000    
 O    7.457000      0.8728000      2.4400000E-02
 N   0.3175000      -1.924100     -0.2872000    
 N    1.395200      -1.134100     -0.1461000    
 N   -5.844000      1.2200000E-02   2.938200    
 N   -4.711000      0.8615000      -2.911700    
 N   -7.994800       1.625700     -3.2200001E-02
 C    3.811900      -1.054200     -0.2586000    
 C    5.068400      0.9435000      0.1749000    
 C    3.840200      0.2894000      7.8599997E-02
 C    6.251400      0.2451000     -6.7100003E-02
 C  -0.9790000      -1.407300     -8.5199997E-02
 C    4.978100      -1.761300     -0.5020000    
 C   -3.543800     -0.3850000      0.3144000    
 C    6.206200      -1.107200     -0.4057000    
 C   -2.091300      -2.235900     -0.2338000    
 C   -1.149200     -6.7400001E-02  0.2635000    
 C   -3.373600      -1.724700     -3.4100000E-02
 C   -2.431700      0.4437000      0.4633000    
 C    2.514600      -1.745000     -0.3622000    
 C   -4.880900      0.1480000      0.5228000    
 C    5.046600       3.203100     -0.5666000    
 C    8.098900      0.8611000       1.297900    
 C   -5.617100      0.6993000     -0.4884000    
 C   -5.425400      7.8299999E-02   1.857700    
 C   -5.114000      0.7875000      -1.825800    
 C   -6.930200       1.210400     -0.2349000    
 H    2.929900      0.8505000      0.2715000    
 H    4.955700      -2.814700     -0.7668000    
 H    7.123800      -1.657300     -0.5964000    
 H   -1.971900      -3.281700     -0.5051000    
 H  -0.3060000      0.6067000      0.3878000    
 H   -4.230000      -2.384200     -0.1541000    
 H   -2.547400       1.490400      0.7346000    
 H    2.549000      -2.816700     -0.6354000    
 H   0.4080000      -2.901800     -0.5403000    
 H    4.110500       3.095600      -1.123700    
 H    5.901000       3.070600      -1.237900    
 H    5.087800       4.210200     -0.1428000    
 H    8.315100     -0.1660000       1.608800    
 H    7.475900       1.357800       2.048300    
 H    9.042800       1.406200       1.210900    


%chk=000052065-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052065

0 1
O 5.213434 2.094218 0.928244
O 7.665522 0.616423 0.270370
N 0.244398 -1.770658 -0.823055
N 1.406230 -1.094193 -0.515038
N -4.829011 2.804435 1.511400
N -6.789388 -2.374590 -1.022829
N -8.347512 1.276198 0.806282
C 3.838410 -1.053980 -0.533687
C 5.181296 0.814209 0.328784
C 3.931189 0.233376 0.067497
C 6.382867 0.094715 0.027027
C -1.001914 -1.223853 -0.534962
C 5.037442 -1.738070 -0.882124
C -3.603606 -0.161720 0.029199
C 6.293072 -1.168104 -0.600372
C -2.177760 -1.958798 -0.874366
C -1.134137 0.049994 0.091352
C -3.444668 -1.440452 -0.598907
C -2.406328 0.557642 0.361730
C 2.549756 -1.682973 -0.816895
C -4.902978 0.435743 0.343094
C 5.790051 3.158845 0.070855
C 7.964820 0.976165 1.680211
C -6.197438 -0.075576 0.108134
C -4.872291 1.733025 0.982921
C -6.486694 -1.333891 -0.511159
C -7.361832 0.671995 0.494231
H 3.023806 0.789603 0.319662
H 4.983935 -2.723737 -1.359696
H 7.224328 -1.689622 -0.841466
H -2.090554 -2.940503 -1.355566
H -0.233148 0.608884 0.351148
H -4.313479 -2.038916 -0.876152
H -2.485907 1.537451 0.844163
H 2.580523 -2.681522 -1.299032
H 0.284432 -2.698117 -1.272840
H 5.160744 3.302078 -0.827292
H 6.823849 2.910894 -0.231295
H 5.776241 4.069596 0.687900
H 7.995807 0.059283 2.297480
H 7.211259 1.675206 2.081879
H 8.959634 1.444793 1.652673


