%chk=000116873.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116873

0 1
 O    2.786100      0.9195000      1.6000000E-03
 O   -3.213600     -0.1881000     -0.4549000    
 N   9.5100001E-02  7.8100003E-02 -7.2600000E-02
 C    1.173400     -0.8304000      0.3039000    
 C    2.450900     -0.4038000     -0.3957000    
 C   -1.043600     -0.2112000      0.4506000    
 C   -2.248300      0.6360000      0.1672000    
 H    1.325300     -0.7887000       1.389500    
 H   0.9304000      -1.860900      1.9800000E-02
 H    2.323700     -0.4154000      -1.483100    
 H    3.275900      -1.070100     -0.1256000    
 H   -1.183500      -1.072800       1.127300    
 H   -2.648200       1.007300       1.114300    
 H   -1.995200       1.470400     -0.4923000    
 H    3.607500       1.156600     -0.4617000    
 H   -4.014700      0.3496000     -0.5754000    


%chk=000116873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116873

0 1
O 2.257447 0.739611 0.757077
O -3.220720 0.119323 0.723679
N -0.035506 -0.583911 -0.623153
C 1.200351 -1.234416 -0.136968
C 2.394153 -0.283639 -0.292255
C -0.888340 -0.165208 0.261720
C -2.128127 0.590883 -0.147606
H 1.149260 -1.548723 0.930293
H 1.384673 -2.128807 -0.761645
H 2.374322 0.165850 -1.306350
H 3.338157 -0.853698 -0.161655
H -0.759860 -0.298348 1.356377
H -1.948521 1.679347 0.004396
H -2.333325 0.409649 -1.220837
H 2.864103 1.497383 0.567260
H -4.026868 0.670804 0.562567


