%chk=000117245.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117245

0 1
 O  -0.1959000     -4.8999999E-02  1.1100000E-02
 O    1.453800       3.025600     -0.3305000    
 O   -1.559300     -0.2188000       1.851600    
 N   -2.318100     -0.7541000     -0.2744000    
 C    2.149000      0.6871000      1.9800000E-02
 C    2.618400     -0.5675000     -0.7750000    
 C   0.8677000      0.4002000      0.8391000    
 C    1.890900       1.842300     -0.9845000    
 C    3.248700       1.159000      0.9918000    
 C    2.926500      -1.809600      6.9799997E-02
 C    3.322200      -2.988200     -0.8090000    
 C   -1.379700     -0.3315000      0.6434000    
 C   -3.669100      -1.128800      7.4400000E-02
 C   -4.629700      5.3500000E-02  2.8200001E-02
 C   -4.725300      0.6798000      -1.355800    
 H    3.516800     -0.3073000      -1.351100    
 H    1.850800     -0.8283000      -1.515700    
 H   0.5463000       1.310600       1.361400    
 H    1.068300     -0.3550000       1.608500    
 H    2.805900       2.080900      -1.538800    
 H    1.123500       1.556000      -1.712500    
 H    2.963000       2.079700       1.512800    
 H    4.187300       1.353900      0.4611000    
 H    3.451500      0.4107000       1.765000    
 H    3.743900      -1.605000      0.7684000    
 H    2.052400      -2.102700      0.6593000    
 H    4.215300      -2.756000      -1.397700    
 H    2.514000      -3.252500      -1.498600    
 H    3.541100      -3.864700     -0.1910000    
 H    1.314600       3.698000      -1.018900    
 H   -3.982800      -1.906800     -0.6294000    
 H   -3.668000      -1.563000       1.080200    
 H   -2.043600     -0.8006000      -1.251000    
 H   -5.625700     -0.2847000      0.3362000    
 H   -4.313400      0.8210000      0.7444000    
 H   -5.031500     -6.1099999E-02  -2.101100    
 H   -5.467700       1.484400      -1.353500    
 H   -3.768800       1.109800      -1.668700    


%chk=000117245-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117245

0 1
O -0.154183 0.016494 -0.029908
O 1.588784 3.078715 -0.272088
O -1.547562 -0.303954 1.850733
N -2.271760 -0.755807 -0.339673
C 2.196902 0.723850 0.037097
C 2.603037 -0.556228 -0.757019
C 0.922940 0.500970 0.877833
C 1.938590 1.845488 -0.998907
C 3.322063 1.171062 1.007786
C 2.881847 -1.823498 0.083870
C 3.282208 -3.022411 -0.804395
C -1.358180 -0.343911 0.606954
C -3.639006 -1.153823 0.031112
C -4.653291 0.016122 0.022229
C -4.839076 0.657678 -1.368927
H 3.511940 -0.319110 -1.350376
H 1.799294 -0.791280 -1.483508
H 0.594111 1.448258 1.338485
H 1.079419 -0.248757 1.673412
H 2.860010 2.000462 -1.601464
H 1.110770 1.536664 -1.670172
H 3.080646 2.150999 1.453374
H 4.279866 1.270111 0.463118
H 3.469936 0.440509 1.823401
H 3.689525 -1.626781 0.815256
H 1.980819 -2.092454 0.668540
H 4.200434 -2.801302 -1.381219
H 2.480820 -3.261826 -1.528831
H 3.472408 -3.927835 -0.199208
H 1.267044 3.759714 -0.912016
H -3.970146 -1.945289 -0.668836
H -3.590662 -1.590921 1.043874
H -1.990638 -0.715126 -1.318863
H -5.624414 -0.372900 0.388475
H -4.318477 0.776883 0.752421
H -5.189214 -0.086432 -2.110455
H -5.583561 1.473423 -1.335212
H -3.889944 1.089544 -1.737595


