%chk=000026243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026243

0 1
 O    2.150500       1.433500      -1.069100    
 O   -1.195600      0.1420000       2.098700    
 O   -4.506900       1.508300     -0.8399000    
 O    1.095800      -2.384400     -4.3900002E-02
 O   0.7573000     -0.8614000      -1.696800    
 N   -2.783200       1.244700      0.7494000    
 N    5.938200      -2.052600       1.039500    
 C   -1.550400       3.310900      0.2123000    
 C   -2.552000       2.612200       1.126700    
 C  -0.1718000       2.643400      0.2335000    
 C   0.8248000       3.403700     -0.6472000    
 C   -2.088700      0.1656000       1.272400    
 C   -3.727900      0.8441000     -0.1819000    
 C   -2.643500      -1.024100      0.6279000    
 C   -3.634700     -0.6139000     -0.2516000    
 C    2.214200       2.778700     -0.6178000    
 C   -2.315100      -2.354500      0.7889000    
 C   -4.349600      -1.512500      -1.016400    
 C   -3.027100      -3.283300      2.4400000E-02
 C   -4.034300      -2.866400     -0.8696000    
 C    3.073600      0.5622000     -0.5510000    
 C    2.769100     -0.7868000     -0.4041000    
 C    4.320100       1.051300     -0.1748000    
 C    3.722000      -1.656900      0.1252000    
 C    4.974100      -1.173000      0.5044000    
 C    5.273300      0.1811000      0.3544000    
 C    1.467800      -1.312000     -0.7938000    
 H   -1.932700       3.318800     -0.8159000    
 H   -1.456100       4.356800      0.5281000    
 H   -2.190500       2.638700       2.161000    
 H   -3.506100       3.149500       1.085200    
 H  -0.2499000       1.614700     -0.1321000    
 H   0.2043000       2.602900       1.262700    
 H   0.8914000       4.448900     -0.3238000    
 H   0.4530000       3.400100      -1.679200    
 H    2.582000       2.850100      0.4143000    
 H    2.879900       3.347400      -1.277200    
 H   -1.542800      -2.675300       1.477800    
 H   -5.123600      -1.192500      -1.704000    
 H   -2.802400      -4.342500      0.1189000    
 H   -4.571900      -3.610200      -1.452000    
 H    4.607800       2.090200     -0.3032000    
 H    3.511500      -2.718200      0.2377000    
 H    6.248000      0.5686000      0.6399000    
 H    6.845900      -1.701700       1.314800    
 H    5.722500      -3.034500       1.149300    
 H   0.2321000      -2.747500     -0.3329000    


%chk=000026243-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026243

0 1
O 1.921122 1.498390 -0.583488
O -2.098414 0.731447 2.750365
O -3.734224 1.348288 -1.622776
O 0.915058 -2.637360 -0.592827
O 0.066744 -0.489012 -0.592375
N -2.896255 1.388693 0.604186
N 5.796098 -2.542700 0.226903
C -1.707625 3.531015 0.020621
C -2.861023 2.848873 0.797460
C -0.313343 2.998987 0.412504
C 0.822741 3.621089 -0.430848
C -2.488771 0.443709 1.591471
C -3.306357 0.753082 -0.601988
C -2.645676 -0.902083 0.950463
C -3.130845 -0.717186 -0.364718
C 2.165731 2.908784 -0.221306
C -2.354809 -2.177721 1.452338
C -3.340603 -1.801530 -1.226927
C -2.554159 -3.285629 0.585698
C -3.039962 -3.099703 -0.735509
C 2.896333 0.537902 -0.331643
C 2.500193 -0.839564 -0.364521
C 4.254783 0.854149 -0.078154
C 3.482100 -1.848702 -0.184828
C 4.843135 -1.533559 0.050795
C 5.211339 -0.159003 0.111050
C 1.078011 -1.230244 -0.532241
H -1.872437 3.382994 -1.063922
H -1.779797 4.621532 0.211026
H -2.751099 3.013544 1.884697
H -3.832269 3.261986 0.469174
H -0.282107 1.905951 0.258908
H -0.129275 3.182458 1.491169
H 0.954752 4.696388 -0.192858
H 0.560137 3.554369 -1.504837
H 2.498783 2.962722 0.836454
H 2.954183 3.338411 -0.873518
H -1.976422 -2.306324 2.471210
H -3.709852 -1.644361 -2.245144
H -2.341729 -4.299166 0.943708
H -3.192238 -3.972248 -1.380552
H 4.574353 1.899578 -0.039882
H 3.154029 -2.891497 -0.219651
H 6.255727 0.115999 0.303487
H 6.770206 -2.315897 0.399452
H 5.528840 -3.521177 0.187636
H -0.062708 -2.821473 -0.657061


