%chk=000005816.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005816

0 1
 O    1.739400      -2.116900      -1.089400    
 O   -2.294100       1.078100      -1.797900    
 O   -3.658400      0.5842000      0.5722000    
 N    2.635900       1.024300      0.7030000    
 C    1.678700      -1.144700     -3.7300002E-02
 C   0.2684000     -0.6866000      0.1208000    
 C    2.637600      1.9300001E-02 -0.3576000    
 C  -0.3658000     -9.8999999E-03 -0.9212000    
 C  -0.4164000     -0.9343000       1.310500    
 C   -1.684900      0.4191000     -0.7732000    
 C   -1.735300     -0.5053000       1.458500    
 C   -2.369600      0.1713000      0.4166000    
 C    3.564500       2.101300      0.3950000    
 H    2.021000      -1.651100      0.8741000    
 H    2.380800      0.4742000      -1.322500    
 H    3.647800     -0.3931000     -0.4831000    
 H   0.1501000      0.1801000      -1.858900    
 H   6.4000003E-02  -1.459800       2.131500    
 H    2.901300      0.5888000       1.585800    
 H   -2.257100     -0.7050000       2.390700    
 H    2.664600      -2.406700      -1.165200    
 H    3.286200       2.612400     -0.5325000    
 H    4.592500       1.734600      0.3078000    
 H    3.540100       2.844100       1.198500    
 H   -3.200800       1.299700      -1.523100    
 H   -3.969000      0.3259000       1.457000    


%chk=000005816-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005816

0 1
O 1.720449 -1.351249 -1.877556
O -3.161424 -0.873175 -1.744346
O -3.854033 0.527807 0.459133
N 3.032635 0.469470 1.133835
C 1.659985 -0.861062 -0.489323
C 0.211543 -0.454932 -0.218477
C 2.696685 0.280839 -0.289995
C -0.812454 -0.844063 -1.116234
C -0.116877 0.284218 0.946574
C -2.148467 -0.493017 -0.853249
C -1.460810 0.635790 1.212129
C -2.470737 0.245816 0.314198
C 3.915375 1.618101 1.411608
H 1.938129 -1.693586 0.202510
H 2.280810 1.226200 -0.684521
H 3.600603 0.040126 -0.912469
H -0.568651 -1.404629 -2.020604
H 0.687277 0.585123 1.626149
H 3.377878 -0.400246 1.561795
H -1.711837 1.208988 2.114190
H 2.648926 -1.631830 -2.077838
H 3.395319 2.555459 1.141349
H 4.882625 1.597746 0.852581
H 4.142486 1.660164 2.491362
H -4.029177 -0.535275 -1.398279
H -4.034758 1.051219 1.275580


