%chk=000047917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047917

0 1
 O    3.510400      0.8183000     -0.3802000    
 O   -3.510700      0.8158000      0.3822000    
 N    2.942600     -0.1260000      0.4768000    
 N   -2.942100     -0.1234000     -0.4798000    
 C   0.7191000      -1.048000       1.037600    
 C    1.018100      0.7697000     -0.7459000    
 C  -0.7186000      -1.042100      -1.041500    
 C   -1.018800      0.7664000      0.7512000    
 C   9.9999997E-05  -1.923600     -4.4999998E-03
 C  -0.2950000     -0.1430000       1.760700    
 C   0.2950000     -0.1339000      -1.760600    
 C  -9.9999997E-05   1.646700      4.9000001E-03
 C    1.666800     -0.1388000      0.2787000    
 C   -1.666700     -0.1382000     -0.2797000    
 H    1.271400      -1.665400       1.752900    
 H    1.694800       1.426300      -1.294900    
 H   -1.270400      -1.656100      -1.760100    
 H   -1.696000       1.419600       1.303300    
 H   0.7244000      -2.571700     -0.5134000    
 H  -0.7241000      -2.574600      0.5007000    
 H   -1.023800     -0.7621000       2.298200    
 H   0.2228000      0.4745000       2.505300    
 H    1.023800     -0.7501000      -2.301400    
 H  -0.2229000      0.4876000      -2.501800    
 H  -0.5219000       2.298400     -0.7070000    
 H   0.5221000       2.294500      0.7201000    
 H    4.452800      0.7473000     -0.1528000    
 H   -4.452800      0.7468000      0.1528000    


%chk=000047917-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047917

0 1
O 3.770894 0.779777 -0.328687
O -3.771011 0.777706 0.332643
N 2.993906 -0.177566 0.500854
N -2.993748 -0.174835 -0.502122
C 0.778632 -1.018661 1.005006
C 1.011272 0.792298 -0.780258
C -0.778529 -1.013415 -1.010209
C -1.011412 0.788009 0.784750
C -0.000049 -1.915529 -0.004829
C -0.233749 -0.123291 1.783929
C 0.234077 -0.114005 -1.784322
C -0.000176 1.685344 0.004517
C 1.713516 -0.106999 0.223745
C -1.713434 -0.105828 -0.224245
H 1.363678 -1.639644 1.706331
H 1.748282 1.417495 -1.310449
H -1.363545 -1.630732 -1.714777
H -1.748495 1.410337 1.318209
H 0.703469 -2.566751 -0.558119
H -0.703750 -2.569166 0.545383
H -0.940516 -0.762970 2.346063
H 0.303139 0.509569 2.516339
H 0.941099 -0.750814 -2.349392
H -0.302654 0.522385 -2.513787
H -0.541363 2.340218 -0.704672
H 0.540821 2.336887 0.716907
H 4.693161 0.612813 -0.006295
H -4.693215 0.612266 0.009289


