%chk=000053206.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053206

0 1
 O   -1.608000      -1.259700     -6.7000002E-02
 O    4.009200       1.458100      0.1021000    
 O    4.300500      -1.292400     -5.1800001E-02
 O    1.485100       2.553800      0.4168000    
 O  -0.4768000      -3.023600      0.8858000    
 N   -4.097400      4.9300000E-02  0.1749000    
 N   -5.861700      0.7731000      -1.285600    
 N   -5.208800       2.058600      0.4796000    
 C   0.6773000      -1.009800      0.3400000    
 C    2.915700      0.6475000      0.1805000    
 C    3.066000     -0.7369000      0.1018000    
 C    1.646200       1.203300      0.3389000    
 C    1.946800      -1.565700      0.1815000    
 C   0.5270000      0.3746000      0.4188000    
 C  -0.4889000      -1.874200      0.4252000    
 C   -2.825800      -2.011800     -3.6499999E-02
 C   -3.949100      -1.173700     -0.6187000    
 C    4.039700       2.402000     -0.9660000    
 C    4.756400      -1.499100      -1.387300    
 C   0.1539000       3.039400      0.5786000    
 C   -5.007100      0.8873000     -0.2118000    
 H    2.074000      -2.643800      0.1175000    
 H  -0.4749000      0.7644000      0.5600000    
 H   -3.053800      -2.279100       1.002100    
 H   -2.701700      -2.926600     -0.6267000    
 H   -4.876200      -1.757900     -0.6088000    
 H   -3.694900     -0.9131000      -1.653300    
 H    5.081100       2.523000      -1.278400    
 H    3.460600       2.065000      -1.833000    
 H    3.675800       3.373000     -0.6187000    
 H    4.817400     -0.5489000      -1.926800    
 H    4.091600      -2.189400      -1.916400    
 H    5.755600      -1.940800      -1.343500    
 H  -0.2827000       2.713700       1.528900    
 H  -0.4766000       2.787100     -0.2810000    
 H   0.2133000       4.132200      0.6164000    
 H   -5.849900     -3.0600000E-02  -1.903400    
 H   -6.539400       1.498600      -1.493600    
 H   -5.914600       2.728400      0.1939000    
 H   -4.653500       2.286300       1.297200    


%chk=000053206-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053206

0 1
O -1.893046 -1.367870 -0.211320
O 3.923475 1.334998 -0.039464
O 4.132539 -1.579890 0.061614
O 1.400139 2.489305 -0.250146
O -0.643158 -3.305070 0.143072
N -4.551775 -0.287844 0.581895
N -5.588132 1.316111 -0.935409
N -5.110474 1.878677 1.290925
C 0.484705 -1.147181 -0.081659
C 2.778005 0.527696 -0.145897
C 2.921221 -0.888935 -0.052056
C 1.458600 1.084054 -0.207675
C 1.772220 -1.713046 -0.009650
C 0.320251 0.258065 -0.188329
C -0.691215 -2.061100 -0.032882
C -3.135726 -2.178344 -0.106529
C -4.304320 -1.268978 -0.485108
C 4.177773 2.307246 -1.125101
C 5.376315 -1.030537 -0.505172
C 0.071431 3.104952 -0.176279
C -5.065018 0.885269 0.297056
H 1.894426 -2.796401 0.070498
H -0.691938 0.664038 -0.226772
H -3.238530 -2.533520 0.933515
H -3.049078 -3.049001 -0.782338
H -5.191498 -1.928963 -0.617964
H -4.080021 -0.816252 -1.481668
H 5.113384 2.812785 -0.841033
H 4.310988 1.779198 -2.090249
H 3.351468 3.031724 -1.198281
H 5.756527 -0.195282 0.102710
H 5.222675 -0.691091 -1.547940
H 6.078504 -1.879007 -0.490935
H -0.457665 2.800664 0.746431
H -0.544285 2.842175 -1.058001
H 0.259257 4.188769 -0.161154
H -5.716980 0.646957 -1.688501
H -5.595323 2.306692 -1.168756
H -5.921787 2.495029 1.335616
H -4.682535 1.605508 2.175136


