%chk=000008523.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008523

0 1
 O   -1.119600      -3.027100     -1.4400000E-02
 N    2.569000      0.3333000      5.1300000E-02
 N   -1.027100     -0.6745000      0.2438000    
 C    3.159200      -1.010600      0.1240000    
 C    3.293500       1.180700     -0.9062000    
 C    1.153300      0.2516000     -0.3067000    
 C    4.628000     -0.9461000      0.5456000    
 C    4.766700       1.317000     -0.5182000    
 C    5.433600     -4.7400001E-02 -0.3859000    
 C   0.3427000     -0.5760000      0.6987000    
 C   0.3767000     -5.2999998E-03   2.114600    
 C   -1.806700      0.5530000      0.1094000    
 C   -1.650800      -1.915600     -7.9300001E-02
 C   -3.086100      -1.804300     -0.5857000    
 C   -2.516200      0.9735000       1.195400    
 C   -1.771900       1.196100      -1.092400    
 C   -3.706600      -3.157000     -0.9006000    
 C   -3.260700       2.146100       1.067300    
 C   -2.516300       2.368800      -1.220300    
 C   -3.260700       2.843800     -0.1403000    
 H    3.071700      -1.532300     -0.8379000    
 H    2.678300      -1.631600      0.8839000    
 H    2.852700       2.184900     -0.9234000    
 H    3.217900      0.7742000      -1.923500    
 H   0.7698000       1.277900     -0.3353000    
 H    1.034700     -0.1688000      -1.315000    
 H    5.058100      -1.954100      0.5477000    
 H    4.700100     -0.5653000       1.572500    
 H    4.847300       1.857100      0.4338000    
 H    5.293900       1.914800      -1.270300    
 H    6.455100      6.7900002E-02 -7.4999998E-03
 H    5.506400     -0.5167000      -1.374700    
 H   0.7098000      -1.604200      0.7420000    
 H   0.1178000       1.058200       2.143100    
 H  -0.3099000     -0.5448000       2.776400    
 H    1.379200     -0.1002000       2.545700    
 H   -3.103100      -1.204500      -1.500800    
 H   -3.706700      -1.322200      0.1756000    
 H   -2.529800      0.4280000       2.132800    
 H   -1.206300      0.8239000      -1.939900    
 H   -4.734700      -3.031000      -1.254200    
 H   -3.726900      -3.797000     -1.2300000E-02
 H   -3.139900      -3.678700      -1.679000    
 H   -3.842700       2.514100       1.907100    
 H   -2.519100       2.910200      -2.161900    
 H   -3.841400       3.756000     -0.2405000    


%chk=000008523-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008523

0 1
O -0.555383 -2.604349 0.175900
N 2.638484 0.101107 -0.081488
N -1.102362 -0.349860 0.367628
C 3.072734 -1.316135 -0.215390
C 3.551487 1.015126 -0.811905
C 1.209789 0.285932 -0.418537
C 4.492772 -1.512425 0.350661
C 4.991357 0.897586 -0.269176
C 5.493243 -0.563362 -0.349348
C 0.303047 -0.054523 0.803022
C 0.373943 1.032713 1.886635
C -2.054958 0.730358 0.230779
C -1.422709 -1.681054 0.060278
C -2.854249 -1.967189 -0.416530
C -3.048886 0.929833 1.220344
C -1.991967 1.606470 -0.882090
C -2.982031 -3.362508 -1.054995
C -3.977304 1.986687 1.093879
C -2.916114 2.668709 -1.001985
C -3.912663 2.860369 -0.016832
H 3.061301 -1.626114 -1.294428
H 2.349440 -1.965996 0.308017
H 3.183229 2.051023 -0.687744
H 3.559297 0.791526 -1.912795
H 1.050209 1.343848 -0.706113
H 0.898968 -0.350034 -1.283026
H 4.798391 -2.568131 0.217760
H 4.477003 -1.301840 1.437620
H 4.999489 1.233380 0.786057
H 5.657586 1.571593 -0.842143
H 6.498656 -0.652397 0.104318
H 5.591691 -0.858547 -1.415067
H 0.665782 -1.009269 1.222141
H -0.048086 1.993994 1.540606
H -0.163745 0.728105 2.802248
H 1.437869 1.188095 2.136550
H -3.178687 -1.178870 -1.121506
H -3.536238 -1.886832 0.453812
H -3.079917 0.259559 2.086516
H -1.230876 1.442936 -1.652612
H -4.033846 -3.567244 -1.325100
H -2.631961 -4.142342 -0.358814
H -2.364680 -3.439336 -1.966945
H -4.743509 2.132545 1.863385
H -2.862702 3.340423 -1.866073
H -4.630592 3.682241 -0.113013


