%chk=000026190.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026190

0 1
 O    3.046800      -2.335700     -0.5966000    
 N  -0.3703000     -0.9196000     -0.2189000    
 N   -4.650500      0.1518000      -1.045000    
 C   0.7410000      -1.846600      2.8700000E-02
 C    1.972200      -1.413700     -0.7987000    
 C    2.498900     -4.2300001E-02 -0.4333000    
 C    1.019100      -1.859100       1.533100    
 C   -1.557100      -1.343000      0.5037000    
 C   -2.719400     -0.4158000      0.2658000    
 C    2.004900       1.068800      -1.094000    
 C    3.462800      6.9799997E-02  0.5531000    
 C    2.490500       2.332300     -0.7574000    
 C    3.948300       1.333300      0.8898000    
 C   -2.923900      0.6729000       1.090500    
 C    3.462100       2.464600      0.2346000    
 C   -3.589600     -0.6418000     -0.7761000    
 C   -4.004900       1.512800      0.8458000    
 C   -4.830900       1.211300     -0.2249000    
 H   0.4697000      -2.864500     -0.2812000    
 H    1.739400      -1.441000      -1.871000    
 H  -0.5674000     -0.8966000      -1.219600    
 H    1.984700      -2.330000       1.749100    
 H    1.035600     -0.8549000       1.971900    
 H   0.2831000      -2.459000       2.079500    
 H   -1.408300      -1.363100       1.588500    
 H   -1.848200      -2.361100      0.2122000    
 H    1.252500      0.9775000      -1.871700    
 H    3.855400     -0.7898000       1.087500    
 H    2.724900      -3.218200     -0.8478000    
 H    2.112700       3.213200      -1.268300    
 H    4.703500       1.436800       1.663600    
 H   -2.257200      0.8852000       1.921000    
 H   -3.468700      -1.482700      -1.451400    
 H    3.839900       3.448500      0.4969000    
 H   -4.194200       2.376500       1.472700    
 H   -5.687400       1.835100     -0.4584000    


%chk=000026190-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026190

0 1
O 3.019114 -2.261556 -0.910878
N -0.462779 -1.073007 -0.219878
N -5.204400 -0.206474 -0.390621
C 0.765165 -1.857922 0.042926
C 1.926569 -1.278917 -0.842501
C 2.520403 0.030227 -0.337043
C 1.134803 -1.878955 1.536792
C -1.691878 -1.482418 0.498575
C -2.837707 -0.528671 0.198091
C 1.806896 1.244458 -0.500555
C 3.781423 0.054614 0.307516
C 2.339398 2.460340 -0.016551
C 4.315190 1.271577 0.788900
C -2.658167 0.877013 0.263477
C 3.596197 2.478773 0.632198
C -4.127378 -1.009513 -0.137991
C -3.756607 1.724170 0.005812
C -5.007050 1.142322 -0.313323
H 0.637584 -2.926283 -0.291820
H 1.507730 -1.118168 -1.864128
H -0.646029 -0.991019 -1.230969
H 2.151265 -2.293343 1.656723
H 1.124722 -0.856028 1.950465
H 0.443849 -2.510544 2.122892
H -1.474566 -1.454703 1.582818
H -2.012220 -2.528528 0.266501
H 0.830150 1.236624 -0.996031
H 4.340617 -0.879746 0.405447
H 2.643736 -3.133905 -1.192767
H 1.778375 3.392273 -0.151732
H 5.294619 1.277436 1.281018
H -1.668196 1.278139 0.505875
H -4.314293 -2.088979 -0.210803
H 4.012347 3.422526 1.002911
H -3.654744 2.813303 0.051242
H -5.884136 1.766784 -0.518887


