%chk=000049445.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049445

0 1
 O  -0.6865000     -0.7587000     -0.2456000    
 O    3.074100       2.153600     -0.1710000    
 O   -3.235200       2.324000      0.4831000    
 N    1.728300      -1.637800      0.3554000    
 C    2.068800     -0.4830000     -0.4745000    
 C    1.176700      0.6877000     -0.2088000    
 C  -0.2037000      0.5129000     -0.1005000    
 C   -1.025800       1.605800      0.1473000    
 C    1.851800      -1.302400       1.773600    
 C    2.583900      -2.776300      2.3000000E-02
 C    1.728900       1.961000     -6.8700001E-02
 C   -2.053900     -0.9763000     -0.1505000    
 C   -2.963500     -7.4000000E-03  8.0100000E-02
 C   -2.475100       1.391000      0.2561000    
 C  -0.4774000       2.883600      0.2888000    
 C   0.9028000       3.057300      0.1796000    
 C   -2.391000      -2.430700     -0.3122000    
 C    1.501400      -2.491800       2.651600    
 C    2.422200      -3.178000      -1.433200    
 C   -4.451300     -0.1882000      0.1564000    
 C   -2.666700      -2.782200      -1.760300    
 C    3.591100       2.435700      -1.469700    
 H    1.936300     -0.6994000      -1.540800    
 H    3.127000     -0.2327000     -0.3319000    
 H    2.865000     -0.9591000       2.020700    
 H    1.164700     -0.4993000       2.059500    
 H    3.640900      -2.574800      0.2382000    
 H    2.293800      -3.662100      0.5967000    
 H   -1.104200       3.749500      0.4826000    
 H    1.327900       4.051300      0.2904000    
 H   -1.557000      -3.042000      5.6000002E-02
 H   -3.248400      -2.710800      0.3094000    
 H   0.5626000      -2.963700       2.341600    
 H    2.293500      -3.246600       2.674200    
 H    1.368000      -2.154400       3.685900    
 H    1.367200      -3.254300      -1.718900    
 H    2.927500      -2.488900      -2.116600    
 H    2.875200      -4.162900      -1.594400    
 H   -4.806100      2.7200000E-02   1.169700    
 H   -4.778800      -1.197700     -0.1034000    
 H   -4.953500      0.4943000     -0.5379000    
 H   -2.891500      -3.849600      -1.853600    
 H   -1.799300      -2.565900      -2.393400    
 H   -3.522300      -2.223700      -2.154200    
 H    4.680200       2.501200      -1.397800    
 H    3.206400       3.394400      -1.831800    
 H    3.334900       1.639500      -2.175700    


%chk=000049445-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049445

0 1
O -0.928424 -0.885969 -0.584615
O 3.029619 1.790274 -0.411025
O -3.409776 2.332795 0.346034
N 2.062303 -1.684234 0.407746
C 1.887350 -0.783005 -0.772610
C 1.055397 0.449356 -0.455824
C -0.354619 0.373408 -0.348372
C -1.178996 1.487778 -0.042203
C 2.985713 -1.113328 1.425881
C 2.435145 -3.062133 -0.011364
C 1.633840 1.733929 -0.273551
C -2.321657 -1.052296 -0.489300
C -3.180969 -0.018025 -0.178350
C -2.649649 1.342038 0.065233
C -0.550472 2.742935 0.149795
C 0.838242 2.877558 0.030184
C -2.693720 -2.479133 -0.801563
C 2.779097 -1.721106 2.826306
C 1.235420 -3.882653 -0.523444
C -4.680099 -0.217175 -0.075178
C -2.597490 -2.799720 -2.318647
C 3.688433 3.092066 -0.269277
H 1.363095 -1.363670 -1.550890
H 2.868501 -0.461554 -1.190611
H 4.057075 -1.221147 1.115081
H 2.789688 -0.028432 1.479750
H 3.243773 -3.048172 -0.787504
H 2.859244 -3.577928 0.868767
H -1.192524 3.597242 0.387076
H 1.301042 3.857500 0.173523
H -2.010340 -3.148783 -0.246107
H -3.717731 -2.672166 -0.441224
H 1.731850 -1.580810 3.145953
H 3.001605 -2.803512 2.851814
H 3.443952 -1.228159 3.560416
H 0.468448 -3.956454 0.267287
H 0.762747 -3.417597 -1.407416
H 1.557158 -4.902318 -0.807975
H -4.952373 -0.866580 0.777869
H -5.109620 -0.662524 -0.990765
H -5.145652 0.769140 0.087351
H -2.853293 -3.858027 -2.503976
H -1.573295 -2.621371 -2.689565
H -3.290438 -2.168729 -2.903332
H 4.756200 2.887809 -0.435626
H 3.542621 3.510099 0.745082
H 3.323476 3.812082 -1.026332


