%chk=000073089.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073089

0 1
 O    4.210000       2.502900      0.7914000    
 O    4.214400      -2.496700      0.7964000    
 N   -3.958100      3.8000001E-03  0.6916000    
 N  -0.6531000     -3.1000001E-03  -1.693500    
 N   -2.930000     -6.3999998E-03  -1.482900    
 N   -5.237400     -6.5000001E-03  -1.312700    
 C   -2.692200      7.9999998E-04   1.301300    
 C   0.5967000     -1.8000000E-03  -1.053300    
 C   -1.569900     -2.9000000E-03  0.5624000    
 C   -1.682500     -3.5999999E-03 -0.9116000    
 C    2.452800       1.208800     -0.1037000    
 C    2.455400      -1.207200     -0.1018000    
 C   -3.996400     -2.7999999E-03 -0.7165000    
 C    1.213700      -1.208900     -0.7373000    
 C    1.211100       1.207000     -0.7391000    
 C    3.074900      1.7000000E-03  0.2150000    
 C   -2.569200      5.0000002E-04   2.801300    
 C   -5.200400      9.4999997E-03   1.474200    
 C    3.099600       2.469400      0.2246000    
 C    3.103900      -2.466100      0.2295000    
 C    2.424800       3.792400     -0.1210000    
 C    2.431700      -3.790900     -0.1142000    
 H  -0.6109000     -5.5999998E-03   1.063200    
 H   0.7048000      -2.131900     -0.9997000    
 H   0.7004000       2.128500      -1.002800    
 H    4.043000      3.1000001E-03  0.7100000    
 H   -3.046100     -0.8885000       3.227100    
 H   -3.032900      0.8968000       3.226300    
 H   -1.525200     -7.1000000E-03   3.134400    
 H   -5.788400     -0.8884000       1.254500    
 H   -5.795700      0.8965000       1.231000    
 H   -5.043500      2.5699999E-02   2.555600    
 H   -5.319100     -1.1300000E-02  -2.324100    
 H   -6.105300     -7.7999998E-03 -0.7909000    
 H    1.469600       3.878200      0.4034000    
 H    2.292500       3.878300      -1.202600    
 H    3.065400       4.617100      0.2074000    
 H    3.073500      -4.613900      0.2164000    
 H    1.476200      -3.877400      0.4097000    
 H    2.300300      -3.879100      -1.195700    


%chk=000073089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073089

0 1
O 4.565794 2.502776 0.547688
O 4.573229 -2.496716 0.549277
N -4.204318 0.002564 0.754341
N -0.671149 -0.005429 -1.448194
N -3.014015 -0.007450 -1.368767
N -5.332235 -0.006380 -1.351779
C -2.976824 0.001245 1.466668
C 0.622846 -0.003318 -0.890488
C -1.794543 -0.002834 0.762396
C -1.766732 -0.005140 -0.709459
C 2.646458 1.227182 -0.170742
C 2.649855 -1.227342 -0.169359
C -4.132516 -0.004058 -0.660923
C 1.314880 -1.223799 -0.649763
C 1.311527 1.219350 -0.651174
C 3.312442 0.000975 0.074225
C -3.011751 0.004686 2.976980
C -5.518553 0.010193 1.423171
C 3.387560 2.514098 0.086414
C 3.394588 -2.511893 0.089150
C 2.693020 3.837938 -0.222346
C 2.704321 -3.837976 -0.219562
H -0.849145 -0.003976 1.310032
H 0.789085 -2.160483 -0.860470
H 0.783127 2.154319 -0.862979
H 4.342863 0.002593 0.442124
H -3.524107 -0.886062 3.387430
H -3.513017 0.903563 3.383493
H -1.979452 -0.000668 3.358674
H -6.100564 -0.895692 1.166547
H -6.099692 0.910010 1.144678
H -5.389502 0.023605 2.512426
H -5.248401 -0.010556 -2.366007
H -6.247370 -0.010405 -0.915753
H 1.767865 3.949759 0.373437
H 2.405679 3.894705 -1.288823
H 3.378244 4.665702 0.013871
H 3.392216 -4.663524 0.016648
H 1.779553 -3.952755 0.376249
H 2.417131 -3.895709 -1.286032


