%chk=000063833.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063833

0 1
 O   -3.228000       1.898900       1.003400    
 O   0.4825000      -2.221600       1.004000    
 O    6.545400     -0.6780000      0.2502000    
 N   -1.534000      0.6104000     -6.5000001E-03
 N   -2.073500      -1.558600     -0.8223000    
 C   -1.214500     -0.6102000     -0.6062000    
 C  -0.5793000       1.678600      0.1075000    
 C   0.2178000     -0.9167000     -0.9941000    
 C   -2.835800      0.8596000      0.4780000    
 C   -3.813300     -0.2277000      0.2616000    
 C   -3.395300      -1.381200     -0.4019000    
 C  -0.4353000       2.608900     -0.9152000    
 C   0.1955000       1.764600       1.258700    
 C    1.008200      -1.539000      0.1276000    
 C   -5.138800     -9.0899996E-02  0.6909000    
 C   -4.322800      -2.404000     -0.6324000    
 C   0.4959000       3.639300     -0.7853000    
 C    2.482300      -1.311000      0.1607000    
 C   -1.258100       2.533800      -2.160300    
 C    1.126700       2.795100       1.388700    
 C   -6.052400      -1.117300      0.4553000    
 C    1.276900       3.732300      0.3667000    
 C   -5.645400      -2.273000     -0.2070000    
 C    3.148100      -1.130300      -1.030300    
 C    3.120100      -1.289000       1.380300    
 C    4.526200     -0.9164000      -1.000000    
 C    4.498100      -1.074800       1.410500    
 C    5.201200     -0.8886000      0.2204000    
 C    7.201700     -0.4931000      -1.003200    
 H   0.2077000      -1.630400      -1.827100    
 H   0.7051000     -4.6999999E-03  -1.346200    
 H   8.6400002E-02   1.039400       2.060700    
 H   -5.477700      0.8040000       1.205500    
 H   -4.017800      -3.313900      -1.144000    
 H   0.6263000       4.377900      -1.571800    
 H   -1.016500       3.344300      -2.856600    
 H   -1.076900       1.591200      -2.686600    
 H   -2.323700       2.618300      -1.923900    
 H    1.735500       2.866700       2.285300    
 H   -7.081600      -1.015000      0.7866000    
 H    2.002400       4.534200      0.4679000    
 H   -6.356400      -3.073200     -0.3909000    
 H    2.650200      -1.166200      -1.993800    
 H    2.583700      -1.426400       2.314300    
 H    5.011000     -0.7831000      -1.961100    
 H    5.018100      -1.052300       2.364300    
 H    6.843000      0.4055000      -1.516600    
 H    7.128600      -1.387300      -1.631400    
 H    8.264700     -0.3373000     -0.7915000    


%chk=000063833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063833

0 1
O -3.605941 2.040172 0.587104
O 0.701871 -0.884744 1.624788
O 6.846786 -1.769686 -0.015402
N -1.684440 0.827250 -0.024162
N -1.780671 -1.497311 -0.658565
C -1.100786 -0.377115 -0.468462
C -0.884258 2.034289 0.177374
C 0.383835 -0.408180 -0.755636
C -3.097408 0.935193 0.240949
C -3.842174 -0.324517 0.066723
C -3.157562 -1.500117 -0.378184
C -0.872562 3.041197 -0.826183
C -0.171126 2.180814 1.385861
C 1.232222 -0.789421 0.479297
C -5.235589 -0.366976 0.334382
C -3.889840 -2.707909 -0.548018
C -0.088344 4.196218 -0.582480
C 2.689551 -1.033134 0.275034
C -1.693573 2.905189 -2.092801
C 0.598780 3.343077 1.606821
C -5.945451 -1.566818 0.165925
C 0.642182 4.351108 0.617514
C -5.267294 -2.738881 -0.276668
C 3.327714 -0.911011 -0.987093
C 3.481240 -1.400670 1.404079
C 4.709421 -1.145577 -1.133406
C 4.853952 -1.637820 1.275965
C 5.476377 -1.511403 0.003575
C 7.553006 -1.659479 -1.297700
H 0.537813 -1.172549 -1.537194
H 0.744881 0.562343 -1.144462
H -0.223350 1.385360 2.135400
H -5.725710 0.551804 0.672647
H -3.346914 -3.595578 -0.886125
H -0.062955 4.987160 -1.341432
H -1.435730 3.693495 -2.819763
H -1.548879 1.923960 -2.582050
H -2.770726 2.994344 -1.857690
H 1.153179 3.459287 2.543864
H -7.019781 -1.604208 0.375082
H 1.235805 5.257466 0.781209
H -5.826021 -3.672653 -0.404838
H 2.751823 -0.627996 -1.874246
H 2.981890 -1.493346 2.373844
H 5.173452 -1.043782 -2.118537
H 5.471185 -1.921872 2.133319
H 7.486882 -0.631878 -1.703261
H 7.155199 -2.381515 -2.036017
H 8.600240 -1.901779 -1.067483


