%chk=000047186.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047186

0 1
 O   -2.309100      -1.287900      -1.131100    
 O    1.728400       1.027600     -0.3694000    
 N    4.664000      0.9012000     -0.2668000    
 N    2.035100     -0.9080000      0.9235000    
 C    3.771700      0.7334000      0.8796000    
 C    5.984700       1.348300      0.1746000    
 C    4.772100     -0.3493000      -1.017600    
 C    2.391500      0.3292000      0.3908000    
 C    5.898500       2.678300      0.9039000    
 C    5.696300     -0.1934000      -2.213300    
 C   -4.591200     -0.5096000      -1.263900    
 C   0.8340000      -1.625900      0.7110000    
 C   -3.659500      -1.635300     -0.8286000    
 C   -4.308500      0.7829000     -0.5372000    
 C   -1.341300      -1.803900     -0.3252000    
 C  -0.1571000      -1.097000     -0.1159000    
 C   0.6410000      -2.861700       1.328500    
 C   -1.534200      -3.039600      0.2925000    
 C  -0.5431000      -3.568500       1.119300    
 C   -4.960900       1.065300      0.6629000    
 C   -3.394300       1.694600      -1.065400    
 C   -4.699600       2.259500       1.334700    
 C   -3.132900       2.888700     -0.3935000    
 C   -3.785600       3.171100      0.8065000    
 H    4.178600      1.9600000E-02   1.605800    
 H    3.602500       1.677100       1.410000    
 H    6.477600      0.6052000      0.8141000    
 H    6.641000       1.533800     -0.6815000    
 H    5.128000      -1.174100     -0.3868000    
 H    3.796700     -0.6444000      -1.420300    
 H    6.903900       3.098500       1.020800    
 H    5.302700       3.409200      0.3465000    
 H    5.484900       2.576800       1.912000    
 H    5.467000      0.7085000      -2.791500    
 H    6.753000     -0.1789000      -1.928900    
 H    5.569700      -1.049800      -2.885600    
 H   -5.634800     -0.8051000      -1.101200    
 H   -4.483900     -0.3377000      -2.342600    
 H    2.698900      -1.372400       1.538900    
 H   -3.919000      -2.551200      -1.371800    
 H   -3.805400      -1.800800      0.2473000    
 H  -7.6300003E-02 -0.1465000     -0.6246000    
 H    1.405900      -3.286000       1.973900    
 H   -2.428100      -3.635500      0.1338000    
 H  -0.6901000      -4.533700       1.595200    
 H   -5.673500      0.3619000       1.085200    
 H   -2.878700       1.487000      -1.999200    
 H   -5.207300       2.479300       2.269400    
 H   -2.420700       3.598300     -0.8043000    
 H   -3.581800       4.100800       1.329800    


%chk=000047186-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047186

0 1
O -2.214403 -0.851511 -0.548124
O 2.237256 0.838769 -0.230677
N 5.225423 0.601560 -0.309416
N 2.391431 -1.176684 0.967899
C 4.384302 0.257841 0.845091
C 6.513298 1.231168 0.077075
C 5.364363 -0.528935 -1.264590
C 2.907764 0.016853 0.453164
C 6.347967 2.646564 0.663422
C 5.806706 -0.087845 -2.672202
C -4.433019 -0.345564 -1.396729
C 1.066497 -1.692578 0.881858
C -3.591729 -1.373807 -0.620865
C -4.756248 0.921537 -0.614300
C -1.261791 -1.600028 0.159111
C 0.029863 -1.021587 0.195291
C 0.810145 -2.937865 1.525570
C -1.533447 -2.837888 0.793494
C -0.480237 -3.492895 1.473061
C -6.082619 1.178725 -0.181811
C -3.743126 1.864155 -0.294976
C -6.394268 2.344858 0.555322
C -4.051400 3.028932 0.442112
C -5.377460 3.274731 0.870133
H 4.777753 -0.631441 1.414763
H 4.385398 1.109866 1.548714
H 7.088206 0.587712 0.794725
H 7.127946 1.306318 -0.836724
H 6.064237 -1.313574 -0.872268
H 4.370420 -1.006049 -1.353982
H 7.339158 3.111575 0.817978
H 5.764432 3.274562 -0.031253
H 5.831185 2.645637 1.640463
H 5.119995 0.687844 -3.051676
H 6.833587 0.319235 -2.687103
H 5.783724 -0.950437 -3.363574
H -5.374056 -0.845784 -1.695842
H -3.884652 -0.103554 -2.327198
H 3.055187 -1.760299 1.483565
H -3.581444 -2.347273 -1.154147
H -3.992496 -1.523193 0.402107
H 0.218336 -0.070193 -0.303799
H 1.613889 -3.459102 2.060046
H -2.528344 -3.289753 0.767871
H -0.675883 -4.450267 1.968389
H -6.878507 0.463590 -0.427241
H -2.714810 1.672398 -0.617853
H -7.425562 2.527611 0.878735
H -3.257168 3.745362 0.681184
H -5.614997 4.180600 1.439509


