%chk=000059488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059488

0 1
 O    1.221800      -1.888200      0.2212000    
 N   -3.404600     -0.3210000      0.5335000    
 N   -4.473100      0.1562000     -0.2793000    
 C   -2.151200      0.2103000     -1.0100000E-02
 C  -0.9803000     -0.1998000      0.9018000    
 C   0.3563000      0.3355000      0.4472000    
 C   -1.989200     -0.3070000      -1.439500    
 C    1.385200     -0.5385000      0.1313000    
 C   0.5264000       1.708700      0.3547000    
 C    2.613800     -2.7200000E-02 -0.2871000    
 C    1.755100       2.219800     -6.3500002E-02
 C    2.798600       1.352000     -0.3844000    
 C    2.341200      -2.700800     -0.1260000    
 H   -2.210000       1.306500     -4.1800000E-02
 H  -0.9601000      -1.293000      0.9925000    
 H   -1.155900      0.1733000       1.920600    
 H   -1.046500      3.6200002E-02  -1.878900    
 H   -2.777000      4.6700001E-02  -2.113400    
 H   -1.982700      -1.403100      -1.469800    
 H   -3.535200      1.0400000E-02   1.488800    
 H  -0.2709000       2.398900      0.6137000    
 H    3.469000     -0.6388000     -0.5526000    
 H    1.900100       3.293700     -0.1363000    
 H    3.755100       1.751300     -0.7092000    
 H   -5.343800     -0.2657000      4.0899999E-02
 H   -4.583800       1.160600     -0.1424000    
 H    3.187000      -2.533700      0.5497000    
 H    2.617100      -2.579700      -1.179100    
 H    2.033800      -3.743900      3.0000000E-03


%chk=000059488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059488

0 1
O 1.065019 -1.786483 0.124388
N -3.390394 -0.202530 0.545814
N -4.543548 0.117421 -0.218662
C -2.099798 0.194316 -0.088738
C -0.986220 -0.030984 0.975940
C 0.375204 0.475144 0.530996
C -1.870923 -0.614470 -1.375330
C 1.397336 -0.418421 0.091786
C 0.667458 1.858839 0.526304
C 2.656855 0.066941 -0.339280
C 1.918814 2.360048 0.097981
C 2.912000 1.457243 -0.336634
C 2.080170 -2.745334 -0.310651
H -2.107050 1.282080 -0.354680
H -0.943832 -1.108177 1.207988
H -1.280253 0.504354 1.904538
H -0.960770 -0.268606 -1.896915
H -2.740271 -0.490106 -2.043547
H -1.755820 -1.685867 -1.134027
H -3.440055 0.124032 1.526657
H -0.105845 2.555806 0.873570
H 3.438341 -0.621887 -0.673872
H 2.114661 3.437467 0.107322
H 3.887919 1.826711 -0.671398
H -5.232070 -0.632021 -0.269536
H -4.916586 1.072866 -0.169392
H 2.986903 -2.690924 0.323618
H 2.360498 -2.584929 -1.370168
H 1.608458 -3.732827 -0.198571


