%chk=000021949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021949

0 1
 O   -3.159800      -2.630900      5.1399998E-02
 N    1.308200     -0.1604000     -0.1104000    
 N    4.965400     -0.6719000     -0.2271000    
 N   -1.748900       2.713800     -1.5900001E-02
 C    2.684900      0.2144000     -0.1583000    
 C    3.555900      -1.035300     -0.1507000    
 C   0.2578000      0.7873000     -7.7699997E-02
 C   -1.087300      0.3966000     -3.0900000E-02
 C   -2.071600       1.406700     -6.0000003E-04
 C   -1.460000     -0.9582000     -1.3300000E-02
 C   0.5932000       2.133400     -9.3400002E-02
 C    5.806100      -1.870300     -0.2593000    
 C    5.340400      0.1805000      0.9027000    
 C   -3.407600       1.018000      4.6500001E-02
 C   -2.803500      -1.318500      3.4000002E-02
 C  -0.4391000       3.048800     -6.1500002E-02
 C   -3.778400     -0.3289000      6.3800000E-02
 C   -4.555500      -2.925300      0.1007000    
 H    2.895300      0.7982000      -1.063200    
 H    2.895500      0.8313000      0.7207000    
 H    3.345300      -1.635700      0.7452000    
 H    3.288900      -1.656100      -1.016300    
 H    1.080600      -1.145000     -0.1100000    
 H  -0.7344000      -1.765200     -3.4600001E-02
 H    1.609500       2.506500     -0.1314000    
 H    5.703600      -2.471700      0.6514000    
 H    6.861000      -1.598500     -0.3775000    
 H    5.547900      -2.498600      -1.119000    
 H    4.941400       1.194300      0.8004000    
 H    6.429100      0.3124000      0.9350000    
 H    5.030500     -0.2387000       1.866900    
 H   -4.189600       1.775000      7.0699997E-02
 H   -4.843600     -0.5306000      0.1010000    
 H  -0.2381000       4.115100     -7.2700001E-02
 H   -4.655900      -4.015500      0.1085000    
 H   -5.074700      -2.562100     -0.7927000    
 H   -5.012000      -2.554900       1.024900    


%chk=000021949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021949

0 1
O -3.123506 -2.648650 0.241979
N 1.295763 -0.038111 -0.062961
N 5.024307 -0.646786 -0.013493
N -1.879260 2.832862 -0.318943
C 2.717061 0.322608 -0.096221
C 3.583274 -0.955034 -0.105956
C 0.268307 0.885701 -0.146714
C -1.122979 0.451503 -0.088822
C -2.147350 1.472055 -0.175312
C -1.511333 -0.912616 0.047000
C 0.514860 2.268165 -0.293196
C 5.876690 -1.707057 -0.589878
C 5.458896 -0.270675 1.347954
C -3.516646 1.069646 -0.112907
C -2.866167 -1.271815 0.105670
C -0.577478 3.178536 -0.374990
C -3.884789 -0.271088 0.026003
C -4.522560 -3.076205 0.313292
H 2.945512 0.909493 -1.006568
H 2.975900 0.959446 0.775892
H 3.245185 -1.636507 0.721970
H 3.402612 -1.490753 -1.056899
H 1.065320 -1.010920 0.134695
H -0.784912 -1.731185 0.102665
H 1.534545 2.658505 -0.340269
H 5.818324 -2.678838 -0.036753
H 6.930791 -1.376838 -0.580516
H 5.588213 -1.890948 -1.639826
H 4.870643 0.585233 1.719901
H 6.518787 0.038078 1.324018
H 5.356889 -1.107477 2.085289
H -4.269044 1.861516 -0.179778
H -4.944011 -0.541066 0.069839
H -0.369847 4.250103 -0.489091
H -4.481387 -4.170045 0.422735
H -5.073335 -2.816239 -0.611497
H -5.036776 -2.634597 1.188987


