%chk=000031681.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031681

0 1
 I   -1.564100      -2.258400       1.202200    
 I    1.503300       2.917200      0.3001000    
 I   -4.416500       2.915100     -0.4328000    
 O   0.8386000     -0.1684000      0.9811000    
 O    1.500700      -2.986200      -1.058000    
 O    1.617200      -2.836400       1.200200    
 O   -4.158300      -1.028700      -1.795300    
 N   -3.947100     -0.2094000      0.4036000    
 C    1.532500     -0.7781000     -0.1046000    
 C    2.896400     -0.1884000     -0.2339000    
 C  -0.3256000      0.4839000      0.6768000    
 C   -2.721700      0.4715000      0.3845000    
 C   -1.539700     -0.2002000      0.6969000    
 C    3.574900      0.2550000      0.9013000    
 C    3.493600     -8.0600001E-02  -1.489900    
 C  -0.2894000       1.837100      0.3453000    
 C   -2.687500       1.825800      5.2400000E-02
 C    1.546000      -2.289200      0.1074000    
 C   -1.471500       2.508500      3.2699998E-02
 C    4.850500      0.8064000      0.7806000    
 C    4.769400      0.4706000      -1.610400    
 C    5.447700      0.9141000     -0.4752000    
 C   -4.567300     -0.8901000     -0.6470000    
 C   -5.882300      -1.491100     -0.2178000    
 H   0.9734000     -0.5942000      -1.034700    
 H    3.141900      0.1630000       1.893900    
 H    2.976800     -0.4233000      -2.382500    
 H   -1.443300       3.565000     -0.2262000    
 H    5.380800       1.147500       1.665000    
 H    5.234700      0.5542000      -2.588200    
 H   -4.425800     -0.1913000       1.301500    
 H    6.441400       1.342400     -0.5690000    
 H   -5.712000      -2.223500      0.5763000    
 H   -6.355900      -1.991100      -1.067100    
 H   -6.548900     -0.7045000      0.1467000    
 H    1.523800      -3.955000     -0.9054000    


%chk=000031681-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031681

0 1
I -1.958125 -2.305647 1.071966
I 1.658810 2.203653 3.083739
I -3.297931 3.577718 -0.214266
O 0.751052 -0.739751 2.164233
O 2.669942 -3.587925 1.630999
O 3.386075 -1.704381 2.789660
O -2.033637 -0.817094 -2.053057
N -3.326826 0.291867 -0.447257
C 1.527292 -1.548006 1.135974
C 2.072056 -0.702278 -0.002694
C -0.185281 0.165553 1.655667
C -2.242453 0.703061 0.376199
C -1.367196 -0.244614 0.977660
C 3.238530 0.092369 0.146343
C 1.364102 -0.688603 -1.232854
C -0.001340 1.551711 1.910232
C -2.000142 2.081239 0.628413
C 2.617515 -2.228073 1.961338
C -0.919552 2.505906 1.424812
C 3.695803 0.880937 -0.930552
C 1.823037 0.107047 -2.305251
C 2.992013 0.888455 -2.158650
C -3.161986 -0.428044 -1.645173
C -4.462075 -0.730634 -2.378414
H 0.858779 -2.328793 0.738485
H 3.775803 0.095521 1.100531
H 0.444961 -1.273363 -1.354602
H -0.767558 3.566832 1.631463
H 4.598226 1.490944 -0.812423
H 1.261850 0.117316 -3.245450
H -4.246525 0.699253 -0.260652
H 3.350251 1.502655 -2.992688
H -4.805104 -1.744930 -2.102217
H -4.270164 -0.724595 -3.462419
H -5.271152 -0.016162 -2.146166
H 3.417649 -4.019945 2.127571


