%chk=000046238.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046238

0 1
 O   -2.309400     -0.3310000      -1.820100    
 O   3.7000000E-02   2.132400     -0.1743000    
 O    3.498000      -1.121100      0.2137000    
 N   -4.283600     -0.2197000      0.2385000    
 C   -1.960400      0.1177000     -0.5077000    
 C   -2.883600     -0.5437000      0.5403000    
 C  -0.4933000     -0.2006000     -0.3130000    
 C   -2.586700     -7.2899997E-02   1.965300    
 C   0.4226000      0.8257000     -0.1565000    
 C  -0.1015000      -1.528700     -0.2963000    
 C    1.770700      0.5150000      2.1600001E-02
 C    1.246400      -1.839400     -0.1182000    
 C    2.182700     -0.8175000      4.0700000E-02
 C    1.059500       3.112000     -4.3000001E-03
 C    4.401600     -2.8100001E-02  0.3702000    
 H   -2.131400       1.200000     -0.5028000    
 H   -2.800900      -1.635700      0.5032000    
 H   -3.297300     -0.5084000       2.677200    
 H   -1.584600     -0.3778000       2.283300    
 H   -2.650900       1.017900       2.049900    
 H  -0.8124000      -2.338300     -0.4296000    
 H   -4.500700     -0.4978000     -0.7177000    
 H   -4.418600      0.7903000      0.2741000    
 H    2.499000       1.301900      0.1447000    
 H    1.561900      -2.879000     -0.1067000    
 H   -2.703300      -1.217000      -1.752000    
 H    1.784500       3.089100     -0.8253000    
 H    1.533000       3.038200      0.9809000    
 H   0.5723000       4.092000     -4.4399999E-02
 H    5.402300     -0.4549000      0.4965000    
 H    4.187400      0.5474000       1.277400    
 H    4.437200      0.5991000     -0.5272000    


%chk=000046238-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046238

0 1
O -2.584058 -0.818160 -1.662037
O -0.180538 2.048751 -0.009917
O 3.605943 -1.169983 0.021100
N -4.321583 -0.429690 0.471333
C -2.026501 -0.041689 -0.521419
C -2.867955 -0.526961 0.707298
C -0.535332 -0.292288 -0.381246
C -2.497710 0.244254 1.986281
C 0.384021 0.761139 -0.121263
C -0.012626 -1.605769 -0.492385
C 1.773667 0.517517 0.017106
C 1.360116 -1.878783 -0.354034
C 2.252595 -0.811030 -0.099079
C 0.719514 3.177586 0.225062
C 4.574123 -0.105112 0.283800
H -2.213005 1.040186 -0.675260
H -2.623585 -1.599409 0.846469
H -3.090287 -0.142736 2.832870
H -1.425296 0.140477 2.222708
H -2.716173 1.324127 1.872318
H -0.711750 -2.420748 -0.708076
H -4.585756 -0.854865 -0.426056
H -4.667671 0.536153 0.538848
H 2.463951 1.341345 0.212183
H 1.759196 -2.892947 -0.441748
H -2.033981 -0.633019 -2.463963
H 1.452737 3.289598 -0.597927
H 1.255628 3.072997 1.188629
H 0.067137 4.062605 0.261211
H 5.549234 -0.610757 0.340771
H 4.364023 0.405104 1.244658
H 4.589423 0.639205 -0.536835


