%chk=000051536.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051536

0 1
 O  -0.2861000      0.8677000     -0.4078000    
 O   -1.167300       1.366500       1.665400    
 N    3.375600      0.4550000     -0.4295000    
 N    5.912800     -0.8438000      5.4600000E-02
 C    3.512000     -0.5963000      0.5861000    
 C    4.346000      0.2504000      -1.511900    
 C    4.941600     -0.6410000       1.136600    
 C    5.775600      0.2071000     -0.9614000    
 C    2.012500      0.4954000     -0.9549000    
 C    7.275900     -0.8821000      0.5809000    
 C    1.020600      0.8220000      0.1501000    
 C   -3.774100      0.7299000      0.6009000    
 C   -2.614100       1.164600     -0.2777000    
 C   -1.300400       1.153200      0.4683000    
 C   -3.554400     -0.6675000       1.121100    
 C   -5.091000       1.009300     -7.6700002E-02
 C   -4.030400      -1.834300      0.6671000    
 C   -5.883900      0.1883000     -0.7779000    
 C   -4.835500      -2.058500     -0.5051000    
 C   -5.635400      -1.185700      -1.128500    
 H    3.239500      -1.578900      0.1777000    
 H    2.874800     -0.4078000       1.454600    
 H    4.279400       1.075800      -2.230900    
 H    4.132700     -0.6780000      -2.059100    
 H    5.155600      0.2862000       1.685600    
 H    5.009800      -1.467900       1.854100    
 H    6.460000      8.1000002E-03  -1.795000    
 H    6.041600       1.189300     -0.5475000    
 H    1.733300     -0.4499000      -1.439700    
 H    1.928700       1.268300      -1.730000    
 H    7.385300      -1.696800       1.305200    
 H    7.557700      5.6200001E-02   1.072100    
 H    7.993000      -1.078800     -0.2238000    
 H    1.258000       1.792100      0.6034000    
 H    1.001600      5.3500000E-02  0.9275000    
 H   -3.787900       1.363900       1.500300    
 H   -2.760600       2.185300     -0.6519000    
 H   -2.534700      0.5010000      -1.149000    
 H   -2.919400     -0.7288000       2.005500    
 H   -5.435000       2.039400      2.1800000E-02
 H   -3.742800      -2.740300       1.197300    
 H   -6.800100      0.6020000      -1.194700    
 H   -4.787800      -3.072300     -0.8982000    
 H   -6.193300      -1.538600      -1.993800    


%chk=000051536-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051536

0 1
O -0.358747 0.679338 -0.407263
O -1.227645 1.348203 1.647031
N 3.355626 0.182782 -0.406346
N 6.084823 -0.712535 -0.006403
C 3.673363 -0.932520 0.522780
C 4.349540 0.227303 -1.508318
C 5.091535 -0.766521 1.091509
C 5.768103 0.394647 -0.939416
C 1.954836 0.160943 -0.887440
C 7.471815 -0.651240 0.491166
C 1.014553 0.741190 0.175750
C -3.935420 0.904772 0.697431
C -2.736842 0.989580 -0.286546
C -1.407208 1.027889 0.448532
C -3.997621 -0.427281 1.436043
C -5.273600 1.121960 0.004078
C -4.202445 -1.648393 0.832750
C -5.801170 0.297297 -0.964297
C -4.606972 -1.893184 -0.541729
C -5.322498 -1.019986 -1.349915
H 3.606661 -1.921191 0.002210
H 2.948494 -0.935627 1.356669
H 4.114092 1.086462 -2.163580
H 4.320875 -0.703789 -2.128480
H 5.120243 0.160468 1.720251
H 5.330050 -1.629061 1.742037
H 6.500665 0.381262 -1.768480
H 5.835271 1.391697 -0.432448
H 1.610179 -0.863987 -1.168369
H 1.882984 0.786966 -1.795523
H 7.676706 -1.528848 1.130634
H 7.688496 0.270456 1.089688
H 8.174793 -0.678210 -0.360918
H 1.267762 1.791285 0.402320
H 1.022149 0.168703 1.119925
H -3.789467 1.701485 1.448022
H -2.818686 1.918257 -0.887133
H -2.737492 0.152485 -1.003303
H -3.818652 -0.399429 2.518571
H -5.836795 2.023299 0.283269
H -4.078889 -2.543881 1.459273
H -6.708304 0.644169 -1.480787
H -4.440741 -2.909779 -0.924765
H -5.675020 -1.404235 -2.317283


