%chk=000089693.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089693

0 1
 O  -1.9999999E-04  -1.621500     -3.9999999E-04
 O    2.625900     -0.7139000      0.3286000    
 O   -2.626300     -0.7134000     -0.3280000    
 N    2.445100       2.457800      -1.479700    
 N   -2.446000       2.458400       1.479100    
 C   0.9809000      -2.421700      0.6480000    
 C  -0.9798000      -2.421500     -0.6476000    
 C    1.995100      -1.514900       1.318100    
 C   -1.994300      -1.515600      -1.318200    
 C    3.575100      0.1749000      0.9048000    
 C   -3.574700      0.1738000     -0.9042000    
 C    4.223500       1.010300     -0.1903000    
 C   -4.223600       1.009400      0.1903000    
 C    3.228600       1.819000     -0.9102000    
 C   -3.229200       1.819000      0.9099000    
 H   0.5033000      -3.063700       1.396300    
 H    1.481000      -3.046300     -0.1013000    
 H  -0.5025000      -3.063800      -1.395900    
 H   -1.480100      -3.046200      0.1015000    
 H    2.744400      -2.117000       1.843600    
 H    1.486600     -0.8602000       2.035500    
 H   -2.743800      -2.118100      -1.843000    
 H   -1.486600     -0.8606000      -2.035700    
 H    3.073100      0.8265000       1.630800    
 H    4.347100     -0.4025000       1.426600    
 H   -3.073600      0.8255000      -1.630500    
 H   -4.346700     -0.4038000      -1.425900    
 H    4.721800      0.3481000     -0.9078000    
 H    4.987800       1.661600      0.2469000    
 H   -4.721700      0.3474000      0.9082000    
 H   -4.988200       1.660100     -0.2471000    


%chk=000089693-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089693

0 1
O -0.000083 -1.452642 -0.000707
O 2.878054 -0.888552 0.547409
O -2.878602 -0.890124 -0.547524
N 2.978542 1.300891 -2.546570
N -2.975309 1.299461 2.546300
C 0.900740 -2.254543 0.824875
C -0.900980 -2.255578 -0.825204
C 1.849042 -1.288109 1.519254
C -1.850083 -1.290038 -1.519745
C 3.514311 0.384990 0.858182
C -3.514574 0.383653 -0.857895
C 4.393346 0.749256 -0.354720
C -4.392373 0.748411 0.355762
C 3.608221 1.047199 -1.565823
C -3.605993 1.046045 1.566127
H 0.321328 -2.829758 1.581691
H 1.484739 -2.969642 0.204551
H -0.321746 -2.831129 -1.581899
H -1.484338 -2.970447 -0.204012
H 2.329015 -1.771859 2.397061
H 1.269257 -0.406693 1.863852
H -2.330442 -1.774614 -2.396877
H -1.270832 -0.408675 -1.865367
H 2.751876 1.171660 1.040767
H 4.161150 0.303663 1.760125
H -2.751958 1.169975 -1.041207
H -4.162245 0.302525 -1.759256
H 5.072207 -0.097089 -0.567560
H 5.018663 1.628523 -0.109082
H -5.071428 -0.097612 0.569260
H -5.017504 1.627951 0.110631


