%chk=000117963.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117963

0 1
 O  -2.2399999E-02 -4.6999999E-03   1.399700    
 N   -2.321500     -0.5417000      0.1092000    
 N    1.203500     -0.4702000     -0.5541000    
 C   -1.075400      -1.148300     -0.3947000    
 C  -0.9862000      -2.642600     -5.5799998E-02
 C   -3.503100      -1.257200     -0.4057000    
 C   -2.206900      -3.405300     -0.5514000    
 C   -3.478000      -2.740900     -4.2500000E-02
 C   -2.428200      0.8769000     -0.2544000    
 C   8.5800000E-02 -0.4724000      0.2708000    
 C   -3.673300       1.495000      0.3795000    
 C   -3.792300       2.979100      3.0800000E-02
 C    2.479600      7.3100001E-02 -0.2736000    
 C   -5.048000       3.593300      0.6288000    
 C    2.746400       1.393000     -0.6057000    
 C    3.442200     -0.7236000      0.3285000    
 C    4.004300       1.928600     -0.3292000    
 C    4.700000     -0.1880000      0.6051000    
 C    1.720900       2.265100      -1.254900    
 C    3.171200      -2.147300      0.6935000    
 C    4.981200       1.138100      0.2763000    
 H   -1.018100      -1.019400      -1.484500    
 H  -0.8913000      -2.781000       1.030100    
 H  -8.2599998E-02  -3.079200     -0.4990000    
 H   -3.585900      -1.147200      -1.495000    
 H   -4.431100     -0.8907000      3.8800001E-02
 H   -2.164000      -4.446100     -0.2125000    
 H   -2.211400      -3.421700      -1.648100    
 H   -4.352800      -3.242900     -0.4715000    
 H   -3.543700      -2.857300       1.046800    
 H   -2.462600      0.9988000      -1.345300    
 H   -1.563500       1.449400      9.7599998E-02
 H   -3.643800       1.372100       1.469300    
 H   -4.595800       1.033600      1.7500000E-02
 H   -3.814400       3.106900      -1.057900    
 H   -2.914800       3.520300      0.4033000    
 H    1.171700      -1.038300      -1.398000    
 H   -5.108600       4.655600      0.3727000    
 H   -5.947600       3.100600      0.2465000    
 H   -5.045600       3.506600       1.720000    
 H    4.240100       2.960000     -0.5776000    
 H    5.472700     -0.7891000       1.077100    
 H   0.8923000       2.456300     -0.5653000    
 H    2.137400       3.235000      -1.547900    
 H    1.333200       1.794600      -2.164700    
 H    2.397300      -2.202800       1.466000    
 H    2.846900      -2.715300     -0.1850000    
 H    4.064500      -2.644800       1.086700    
 H    5.960500       1.555300      0.4921000    


%chk=000117963-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117963

0 1
O 0.131678 -0.271051 1.751751
N -2.416499 -0.711915 0.099714
N 1.051816 -0.386872 -0.402161
C -1.136022 -1.459807 -0.007821
C -1.207862 -2.787867 0.791888
C -3.557063 -1.529724 -0.388248
C -2.393120 -3.660173 0.331789
C -3.700497 -2.843436 0.403062
C -2.354262 0.622643 -0.552649
C 0.052805 -0.634353 0.544951
C -3.533415 1.548816 -0.188682
C -3.310645 2.992220 -0.697130
C 2.340110 0.212891 -0.164233
C -4.496425 3.926431 -0.374164
C 2.452742 1.523920 0.383440
C 3.494132 -0.537432 -0.543562
C 3.754257 2.052740 0.576421
C 4.771771 0.036755 -0.350636
C 1.237595 2.360945 0.723319
C 3.357530 -1.932827 -1.128634
C 4.905752 1.322787 0.216499
H -0.926149 -1.712586 -1.088986
H -1.314282 -2.522248 1.859382
H -0.250931 -3.333315 0.675590
H -3.437018 -1.769601 -1.480757
H -4.480016 -0.934333 -0.285097
H -2.462594 -4.567470 0.961053
H -2.226811 -4.002492 -0.711131
H -4.550424 -3.424952 -0.003107
H -3.929797 -2.600621 1.458067
H -2.284462 0.530045 -1.670647
H -1.425786 1.116009 -0.212457
H -3.646807 1.549394 0.912686
H -4.483692 1.168404 -0.613031
H -3.140612 2.975154 -1.793610
H -2.384139 3.400144 -0.243245
H 0.910780 -0.822815 -1.317747
H -4.313873 4.953862 -0.739105
H -5.428858 3.560960 -0.844714
H -4.670829 3.980287 0.716838
H 3.855635 3.057825 1.001973
H 5.663207 -0.534817 -0.634346
H 0.718692 1.952001 1.609128
H 1.525022 3.406702 0.925329
H 0.506712 2.357837 -0.107553
H 2.733014 -2.581026 -0.485763
H 2.891226 -1.923873 -2.135216
H 4.346436 -2.408688 -1.236042
H 5.900777 1.754824 0.369994


