%chk=000063384.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063384

0 1
 O  -0.9958000      -1.932900      0.5727000    
 N  -0.6432000      0.3700000      0.2243000    
 N   -2.505300       1.747200     -0.3204000    
 C   0.7787000      0.2301000      0.3796000    
 C   -1.240900       1.597900     -6.9700003E-02
 C    2.959400     -0.1651000     -0.6001000    
 C   -2.865200     -0.6363000      8.3400004E-02
 C   -1.418800     -0.8033000      0.3380000    
 C    1.568500     -2.5400000E-02 -0.7348000    
 C    3.546400     -4.2599998E-02  0.6818000    
 C   -3.342500      0.6287000     -0.2594000    
 C    1.344900      0.3517000       1.639100    
 C    2.725000      0.2161000       1.791300    
 C   -3.734000      -1.731400      0.1596000    
 C    3.780700     -0.4237000      -1.709500    
 C  -0.4179000       2.869900     -5.1300000E-02
 C    4.937300     -0.1823000      0.8165000    
 C   -4.707200      0.7885000     -0.5265000    
 C   -5.091200      -1.558500     -0.1082000    
 C    5.160800     -0.5596000      -1.557300    
 C    5.738000     -0.4392000     -0.2968000    
 C   -5.578000     -0.2997000     -0.4523000    
 H    1.104300     -0.1171000      -1.715200    
 H   0.7283000      0.5518000       2.511200    
 H    3.154600      0.3143000       2.786100    
 H   -3.374200      -2.722200      0.4222000    
 H    3.351200     -0.5218000      -2.704400    
 H   0.3849000       2.803900     -0.7905000    
 H   2.2100000E-02   3.010000      0.9399000    
 H   -1.040100       3.738400     -0.2864000    
 H    5.410100     -9.2000000E-02   1.792400    
 H   -5.102000       1.766500     -0.7915000    
 H   -5.768400      -2.405500     -5.0299998E-02
 H    5.784700     -0.7596000      -2.423600    
 H    6.812600     -0.5450000     -0.1790000    
 H   -6.635100     -0.1640000     -0.6610000    


%chk=000063384-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063384

0 1
O -0.927235 -1.960698 0.592351
N -0.680286 0.336117 0.144294
N -2.555355 1.771012 -0.341570
C 0.759881 0.196422 0.326011
C -1.254979 1.594608 -0.157279
C 3.003540 -0.113653 -0.611482
C -2.916751 -0.650715 0.087282
C -1.473253 -0.858702 0.301359
C 1.587187 0.018398 -0.780710
C 3.560531 -0.065909 0.726249
C -3.407461 0.655631 -0.231502
C 1.298653 0.232525 1.650135
C 2.673812 0.104786 1.841175
C -3.813654 -1.745625 0.195724
C 3.885955 -0.294655 -1.727526
C -0.334356 2.786742 -0.262225
C 4.978385 -0.198569 0.893925
C -4.802740 0.840132 -0.440002
C -5.188441 -1.548986 -0.013123
C 5.262938 -0.421593 -1.532720
C 5.813894 -0.372537 -0.211698
C -5.680628 -0.250999 -0.332257
H 1.153793 -0.035863 -1.785993
H 0.618010 0.346041 2.499930
H 3.092039 0.127754 2.854095
H -3.401343 -2.729632 0.441968
H 3.463150 -0.335943 -2.738282
H 0.377544 2.682289 -1.100365
H 0.267320 2.918988 0.654741
H -0.955754 3.678392 -0.426291
H 5.398202 -0.163859 1.906176
H -5.157961 1.846158 -0.682447
H -5.883310 -2.391390 0.068694
H 5.929626 -0.561541 -2.390441
H 6.895810 -0.474541 -0.073853
H -6.754064 -0.102784 -0.494441


