%chk=000014739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014739

0 1
 O    6.380100      -1.692800     -0.5424000    
 N   -2.685600      1.2100000E-02  0.9409000    
 N   0.1146000      0.1024000      0.3841000    
 N   -6.633700     -0.5001000     -0.8028000    
 N    5.670600      0.5401000     -0.2794000    
 C   -2.189300      0.6815000     -0.2675000    
 C   -1.827000      -1.133800       1.265300    
 C  -0.7593000       1.189600     -6.7299999E-02
 C  -0.3856000     -0.6857000       1.517600    
 C   -4.070200     -0.4208000      0.7558000    
 C   -4.972800      0.7891000      0.5072000    
 C    1.499900      0.2117000      0.2196000    
 C   -6.443300      0.4087000      0.3211000    
 C    2.300600     -0.9326000      3.1300001E-02
 C    2.136000       1.469000      0.2361000    
 C    3.681500     -0.8240000     -0.1337000    
 C    3.516700       1.577800      7.0900001E-02
 C    4.289600      0.4313000     -0.1139000    
 C   -6.194500      0.1251000      -2.051700    
 C   -8.036200     -0.9073000     -0.9051000    
 C    6.602300     -0.4882000     -0.4751000    
 C    8.005600      4.6999998E-02 -0.6109000    
 H   -2.764600       1.573200     -0.5248000    
 H   -2.222800      3.5999999E-03  -1.131100    
 H   -1.844100      -1.874100      0.4539000    
 H   -2.193000      -1.633000       2.170700    
 H  -0.7551000       2.001600      0.6713000    
 H  -0.4056000       1.597900      -1.022400    
 H   0.2244000      -1.580100       1.689400    
 H  -0.3329000     -7.7900000E-02   2.430200    
 H   -4.140900      -1.138900     -7.0299998E-02
 H   -4.419800     -0.9326000       1.661300    
 H   -4.675000       1.398000     -0.3477000    
 H   -4.909500       1.457200       1.377300    
 H   -6.788900     -7.2600000E-02   1.245100    
 H   -7.039100       1.323100      0.1996000    
 H    1.845800      -1.920400     -6.9999998E-04
 H    1.568400       2.383300      0.3903000    
 H    4.212300      -1.755000     -0.2747000    
 H    3.977900       2.562100      9.1100000E-02
 H   -5.107000      0.2397000      -2.093000    
 H   -6.664500       1.101200      -2.218100    
 H   -6.445500     -0.5155000      -2.905900    
 H   -8.360300      -1.406500      1.4900000E-02
 H   -8.169100      -1.631800      -1.716300    
 H   -8.701700     -5.6000002E-02  -1.089300    
 H    6.037700       1.489200     -0.2528000    
 H    8.068900      0.6996000      -1.486200    
 H    8.708300     -0.7818000     -0.7335000    
 H    8.276300      0.6110000      0.2863000    


%chk=000014739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014739

0 1
O 6.696527 -1.602908 0.122794
N -2.677600 -0.092292 0.659658
N 0.195396 0.019434 0.227212
N -6.914694 -0.356135 -0.754714
N 5.874177 0.567363 -0.244069
C -2.094568 0.751898 -0.409582
C -1.830492 -1.297773 0.833867
C -0.659889 1.186906 -0.059299
C -0.400729 -0.896916 1.228743
C -4.101026 -0.447588 0.408294
C -5.056833 0.749956 0.575947
C 1.604518 0.155485 0.149992
C -6.542391 0.337199 0.504079
C 2.467319 -0.970457 0.318250
C 2.227438 1.407520 -0.140178
C 3.864101 -0.869300 0.200540
C 3.624999 1.511223 -0.270329
C 4.464592 0.382382 -0.101828
C -6.777639 0.495329 -1.952750
C -8.257944 -0.963663 -0.666038
C 6.893348 -0.375472 -0.133245
C 8.301934 0.181224 -0.346104
H -2.708941 1.660662 -0.537164
H -2.077969 0.205579 -1.388813
H -1.792633 -1.913632 -0.101679
H -2.262626 -1.922316 1.637776
H -0.693764 1.887670 0.807872
H -0.247807 1.730447 -0.927558
H 0.213847 -1.805689 1.320525
H -0.432711 -0.403239 2.227050
H -4.246399 -0.905422 -0.600416
H -4.383825 -1.222444 1.147787
H -4.847587 1.530751 -0.180237
H -4.869876 1.213729 1.563615
H -6.759163 -0.359761 1.337975
H -7.178243 1.247990 0.670590
H 2.044326 -1.959547 0.518990
H 1.629869 2.316757 -0.245766
H 4.500060 -1.747597 0.325457
H 4.065899 2.492725 -0.492551
H -5.729975 0.818717 -2.079021
H -7.420978 1.412770 -1.918245
H -7.058523 -0.085473 -2.849378
H -8.294199 -1.663448 0.188140
H -8.469879 -1.536589 -1.586728
H -9.079069 -0.212677 -0.531551
H 6.165670 1.523866 -0.456083
H 8.777774 -0.358963 -1.182814
H 8.905586 -0.017983 0.556259
H 8.331191 1.264299 -0.560572


