%chk=000048688.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048688

1 1
 O    3.099500      -1.452100     -4.1000000E-03
 N   -1.664000     -0.6002000     -3.4000000E-03
 C  -0.2252000     -7.8100003E-02  1.0000000E-03
 C   -1.699100      -1.947700      0.7117000    
 C   -2.131100     -0.7404000      -1.449500    
 C   -2.623600      0.3455000      0.7161000    
 C  -3.9299998E-02   1.263700      6.6999998E-03
 C   0.7523000      -1.018800     -3.1000001E-03
 C    1.278400       1.720800      8.9999996E-03
 C   -1.151200       2.261100      1.1400000E-02
 C    2.070100     -0.5617000     -8.9999998E-04
 C    2.333200      0.8081000      5.2000000E-03
 H   -1.265600      -2.727900      7.9300001E-02
 H   -1.209200      -1.860100       1.687100    
 H   -2.748300      -2.226300      0.8633000    
 H   -1.482300      -1.460600      -1.958300    
 H   -3.160700      -1.111600      -1.438000    
 H   -2.082900      0.2302000      -1.949600    
 H   -3.098800       1.067300      5.2000001E-02
 H   -3.484300     -0.2673000       1.020900    
 H   -2.189000      0.6831000       1.661500    
 H   0.6096000      -2.089500     -4.3900002E-02
 H    1.504000       2.783900      1.6400000E-02
 H  -0.7069000       3.245300     -0.2103000    
 H   -1.831300       2.159100     -0.8369000    
 H   -1.605500       2.449100      0.9859000    
 H    3.355400       1.176900      7.6000001E-03
 H    3.939700     -0.9623000     -1.7000000E-03


%chk=000048688-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048688

1 1
O 3.092358 -1.471538 0.401148
N -1.705145 -0.651260 0.043212
C -0.280866 -0.051899 0.037140
C -1.729885 -2.135961 0.430374
C -2.307390 -0.560490 -1.367672
C -2.595055 0.065720 1.068691
C -0.056149 1.344328 -0.179335
C 0.786521 -0.953229 0.220990
C 1.307716 1.751009 -0.193870
C -1.080790 2.464363 -0.344793
C 2.123016 -0.495118 0.204031
C 2.390653 0.874892 -0.007543
H -1.183939 -2.729505 -0.315509
H -1.289231 -2.265439 1.428891
H -2.782752 -2.455421 0.445832
H -1.655163 -1.118087 -2.055490
H -3.316299 -1.001907 -1.352456
H -2.361769 0.486952 -1.684512
H -2.714700 1.118063 0.795230
H -3.579614 -0.427011 1.082684
H -2.115232 -0.012363 2.055403
H 0.655013 -2.022124 0.386014
H 1.519716 2.812879 -0.357381
H -0.599260 3.325479 -0.835766
H -1.962387 2.217608 -0.959252
H -1.445145 2.830291 0.634484
H 3.417144 1.257258 -0.030409
H 4.012535 -1.107986 0.385265


