%chk=000015488.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015488

1 1
 O   0.5282000     -0.9106000      -1.246400    
 N   -1.874100      -1.501600     -5.3199999E-02
 N    1.542600     -0.2403000      0.7644000    
 C   -2.226200     -0.4727000      -1.118000    
 C   -1.457000      -2.802700     -0.7234000    
 C   -3.087200      -1.752300      0.8310000    
 C  -0.7259000     -0.9785000      0.7978000    
 C   -2.650600      0.8465000     -0.5432000    
 C   -2.602200      -3.317700      -1.567700    
 C   -2.731100      -2.775600       1.887100    
 C   0.5070000     -0.7128000     -3.6100000E-02
 C   -1.697600       1.828400     -0.2952000    
 C   -3.993100       1.075500     -0.2627000    
 C    2.849500      0.1210000      0.3595000    
 C   -2.092400       3.054700      0.2396000    
 C   -4.387900       2.301900      0.2719000    
 C   -3.437600       3.291400      0.5231000    
 C    3.850600     -0.8390000      0.3522000    
 C    3.107500       1.429200     -2.2500001E-02
 C    5.139100     -0.4827000     -4.5899998E-02
 C    4.396100       1.785500     -0.4206000    
 C    3.589900      -2.252600      0.7612000    
 C    2.040600       2.475800     -2.0500001E-02
 C    5.411800      0.8294000     -0.4324000    
 H   -3.091500     -0.8511000      -1.673200    
 H   -1.442700     -0.3580000      -1.868500    
 H  -0.6213000      -2.652000      -1.403800    
 H   -1.124200      -3.524700      2.6500000E-02
 H   -3.324900     -0.8248000       1.360400    
 H   -3.956600      -2.033000      0.2321000    
 H   -1.042100     -0.1029000       1.370600    
 H  -0.4313000      -1.766000       1.498600    
 H   -2.286000      -4.272100      -2.009300    
 H   -3.509600      -3.555600      -1.009900    
 H   -2.848400      -2.685100      -2.423400    
 H   -3.620700      -2.930300       2.511800    
 H   -2.489800      -3.764900       1.493500    
 H   -1.954900      -2.455700       2.585200    
 H  -0.6560000       1.671400     -0.5406000    
 H   -4.748800      0.3207000     -0.4619000    
 H    1.353700     -9.3000002E-02   1.753500    
 H   -1.353200       3.827800      0.4281000    
 H   -5.435600       2.487400      0.4902000    
 H   -3.745100       4.247000      0.9373000    
 H    5.942200      -1.214700     -6.1999999E-02
 H    4.624000       2.803100     -0.7268000    
 H    4.508900      -2.848700      0.7773000    
 H    2.899400      -2.731600      5.9400000E-02
 H    3.164500      -2.289800       1.769700    
 H    1.373800       2.374400      0.8415000    
 H    1.461700       2.417000     -0.9465000    
 H    2.472900       3.480900      4.2399999E-02
 H    6.414800       1.106700     -0.7432000    


%chk=000015488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015488

1 1
O 0.650511 -1.070340 -1.150340
N -1.928286 -1.675301 0.068111
N 1.476453 -0.172326 0.849157
C -2.326628 -0.708303 -1.123154
C -1.510327 -3.055986 -0.523801
C -3.155454 -1.816066 1.009135
C -0.768861 -1.107511 0.888384
C -2.546062 0.738815 -0.735802
C -2.611247 -3.799621 -1.286992
C -2.995631 -2.796295 2.178048
C 0.515847 -0.785673 0.078843
C -1.498125 1.684264 -0.906389
C -3.818447 1.197057 -0.296907
C 2.783788 0.258552 0.390843
C -1.709466 3.048883 -0.610223
C -4.027958 2.560505 0.002985
C -2.970950 3.488547 -0.146283
C 3.698932 -0.676531 -0.169665
C 3.119494 1.631288 0.583903
C 4.965201 -0.187517 -0.578657
C 4.398768 2.068580 0.171266
C 3.373974 -2.149103 -0.313115
C 2.138770 2.604058 1.216853
C 5.314392 1.168511 -0.416181
H -3.244928 -1.156390 -1.534132
H -1.503044 -0.811123 -1.845213
H -0.649604 -2.834777 -1.173665
H -1.156563 -3.655094 0.332449
H -3.366704 -0.797781 1.375437
H -3.993697 -2.120717 0.361800
H -1.140278 -0.189041 1.375924
H -0.533816 -1.850808 1.668436
H -2.178058 -4.752352 -1.640170
H -3.484921 -4.056892 -0.664534
H -2.953831 -3.258690 -2.184087
H -3.946247 -2.799187 2.740500
H -2.813190 -3.833849 1.852557
H -2.208655 -2.501553 2.892089
H -0.532185 1.358015 -1.309591
H -4.659933 0.496843 -0.222497
H 1.215734 0.116881 1.797989
H -0.900946 3.771210 -0.764623
H -5.015005 2.902288 0.330590
H -3.136982 4.548111 0.073762
H 5.685485 -0.887796 -1.015512
H 4.673953 3.120338 0.305808
H 4.294965 -2.739926 -0.445796
H 2.721229 -2.323251 -1.188211
H 2.844751 -2.539952 0.576382
H 1.992752 2.406239 2.298803
H 1.143065 2.563582 0.736343
H 2.511092 3.638019 1.133954
H 6.300073 1.521771 -0.735814


