%chk=000044858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044858

0 1
 O   -4.360200      0.6115000     -0.2910000    
 O    4.340300     -0.5062000     -0.2784000    
 O    3.122300       1.279100      0.5293000    
 N   -1.749700     -0.3814000      0.2577000    
 C  -0.4946000      -1.015700     -0.1397000    
 C   -1.955600      0.8740000     -0.4777000    
 C   -2.885400      -1.287200      3.5599999E-02
 C   0.6867000     -0.1031000      0.1835000    
 C   -3.276300       1.510900     -5.4800000E-02
 C   -4.184500     -0.5994000      0.4453000    
 C    2.012300     -0.7568000     -0.2048000    
 C    3.192200      0.1476000      6.9799997E-02
 C    5.552500      0.2269000     -7.4800000E-02
 H  -0.4963000      -1.265300      -1.208800    
 H  -0.3690000      -1.955400      0.4128000    
 H   -1.966200      0.6893000      -1.559700    
 H   -1.186000       1.618100     -0.2595000    
 H   -2.765400      -2.201200      0.6285000    
 H   -2.942500      -1.573000      -1.022800    
 H   0.6945000      0.1465000       1.252200    
 H   0.6362000      0.8405000     -0.3684000    
 H   -3.266100       1.801800       1.002900    
 H   -3.460800       2.414600     -0.6446000    
 H   -5.036600      -1.249900      0.2237000    
 H   -4.205200     -0.3806000       1.519900    
 H    2.009400     -0.9954000      -1.274400    
 H    2.148800      -1.681200      0.3676000    
 H    5.550900       1.137500     -0.6815000    
 H    6.388100     -0.4034000     -0.3904000    
 H    5.675600      0.4683000      0.9852000    


%chk=000044858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044858

0 1
O -4.546351 0.544876 -0.026462
O 4.412258 -0.636768 0.118541
O 3.314800 1.385612 -0.239722
N -1.766635 -0.312687 0.126091
C -0.485660 -0.871928 -0.366959
C -2.147253 0.963853 -0.534798
C -2.878757 -1.293020 0.011723
C 0.738605 -0.020374 0.024418
C -3.442447 1.513339 0.085022
C -4.159646 -0.713864 0.632458
C 2.054450 -0.748587 -0.322901
C 3.276591 0.137487 -0.147670
C 5.683492 0.116071 0.257738
H -0.497296 -1.013352 -1.481272
H -0.377077 -1.880272 0.080568
H -2.297976 0.820261 -1.635882
H -1.341372 1.706420 -0.395283
H -2.596770 -2.218798 0.549118
H -3.082707 -1.562208 -1.056352
H 0.692991 0.187975 1.109419
H 0.732119 0.956230 -0.491837
H -3.265525 1.756326 1.155032
H -3.786137 2.414498 -0.449207
H -5.014787 -1.395778 0.492161
H -3.997574 -0.534056 1.717321
H 2.035871 -1.072545 -1.384938
H 2.189162 -1.664738 0.278734
H 5.906316 0.666370 -0.671940
H 6.443811 -0.651977 0.456718
H 5.612904 0.833034 1.092859


