%chk=000093504.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093504

0 1
 O   0.4115000      -2.604800      0.5382000    
 O    3.227200     -0.4266000     -0.4594000    
 O    1.447000       2.710900      -1.852500    
 N    1.028800       1.480400      0.1105000    
 N   -5.019700       1.267100     -0.4698000    
 C   0.8791000      0.1417000     -0.4175000    
 C    1.982400     -0.7576000      0.1525000    
 C    1.667900      -2.250300     -6.7800000E-02
 C  -0.4865000     -0.4284000     -0.1261000    
 C   0.7947000       1.774300       1.504300    
 C    1.399200       3.154000       1.671200    
 C  -0.6338000      -1.744600      0.3311000    
 C    1.271400       2.624400     -0.6464000    
 C    1.222100       3.799300      0.3020000    
 C    2.725900      -3.108600      0.6482000    
 C    1.651000      -2.665500      -1.550100    
 C   -1.643900      0.3371000     -0.3459000    
 C   -1.902300      -2.259000      0.6196000    
 C   -2.909900     -0.1826000     -7.0799999E-02
 C   -3.038400      -1.478300      0.4194000    
 C   -4.073700      0.6171000     -0.2910000    
 H   0.9936000      0.2021000      -1.507600    
 H    2.099400     -0.6019000       1.230600    
 H    1.263200       1.053100       2.176100    
 H  -0.2834000       1.801600       1.691700    
 H    2.469700       3.064900       1.895000    
 H   0.9340000       3.728800       2.477000    
 H    2.018400       4.514500      8.2900003E-02
 H   0.2447000       4.283200      0.2111000    
 H    3.729500      -2.949900      0.2408000    
 H    2.747100      -2.885000       1.721200    
 H    2.484700      -4.174900      0.5637000    
 H    1.408300      -3.730300      -1.647800    
 H   0.8836000      -2.130300      -2.118200    
 H    2.617700      -2.489000      -2.032700    
 H   -1.555000       1.349800     -0.7354000    
 H    3.393300      0.5160000     -0.2875000    
 H   -2.011600      -3.275300      0.9898000    
 H   -4.016300      -1.897700      0.6424000    


%chk=000093504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093504

0 1
O 0.398481 -2.709330 0.499904
O 3.316976 -0.487725 -0.214143
O 1.492581 2.445161 -1.920474
N 1.071884 1.469996 0.189006
N -5.058002 1.357589 -0.327048
C 0.907027 0.095736 -0.318217
C 1.987109 -0.839598 0.278216
C 1.736208 -2.322940 -0.103087
C -0.494487 -0.468049 -0.079185
C 0.796261 1.887049 1.585049
C 1.345633 3.342344 1.630105
C -0.665466 -1.827018 0.313385
C 1.302980 2.549380 -0.676689
C 1.259381 3.832077 0.162152
C 2.741773 -3.246344 0.588107
C 1.678580 -2.555283 -1.622518
C -1.639828 0.334387 -0.249294
C -1.960450 -2.348479 0.560962
C -2.941767 -0.179720 -0.014384
C -3.090966 -1.534748 0.403115
C -4.096462 0.658722 -0.187002
H 1.098668 0.187540 -1.408912
H 1.960627 -0.771761 1.388507
H 1.303796 1.224336 2.307915
H -0.290820 1.847830 1.795298
H 2.397702 3.335047 1.965210
H 0.770783 3.971615 2.328225
H 2.074292 4.511908 -0.133080
H 0.305634 4.351758 -0.049979
H 3.759272 -3.017219 0.231596
H 2.712168 -3.106787 1.682801
H 2.506242 -4.300716 0.364306
H 1.558576 -3.631213 -1.832983
H 0.836707 -2.019089 -2.094149
H 2.617090 -2.201675 -2.082190
H -1.521850 1.375440 -0.569972
H 3.387224 0.500733 -0.256183
H -2.051568 -3.394239 0.867958
H -4.091090 -1.937017 0.590472


