%chk=000055340.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055340

0 1
 O   -1.251900       1.616100     -0.7504000    
 O   -2.127700       2.561000       1.170200    
 N    1.490200     -0.2399000       1.050700    
 C   -2.007700      0.2092000      0.9730000    
 C  -0.8545000     -0.4297000       1.688100    
 C   -2.067100      5.5000000E-03   2.457700    
 C   0.4248000      0.2966000       1.893500    
 C   -2.897600     -0.6278000      0.1198000    
 C   -1.809500       1.595400      0.4911000    
 C   -2.357600      -1.380300     -0.9233000    
 C   -4.270900     -0.6572000      0.3627000    
 C    2.736500      0.4775000       1.273700    
 C   -3.190800      -2.161900      -1.723600    
 C   -5.104100      -1.439000     -0.4376000    
 C   -1.023100       2.917900      -1.298800    
 C   -4.563900      -2.191300      -1.480700    
 C    3.853700     -5.9900001E-02  0.4193000    
 C  -0.4039000       2.772300      -2.672600    
 C    4.653400      -1.084900      0.9055000    
 C    4.067900      0.4767000     -0.8426000    
 C    5.688300      -1.583000      0.1141000    
 C    5.102800     -2.1600001E-02  -1.634100    
 C    5.912900      -1.051400      -1.155600    
 H  -0.7103000      -1.503800       1.621700    
 H   -2.694800     -0.7781000       2.868800    
 H   -1.973300      0.8585000       3.120600    
 H   0.7123000      0.1564000       2.943500    
 H   0.3285000       1.377000       1.744300    
 H    1.216600     -0.1433000      7.2300002E-02
 H   -1.289800      -1.365500      -1.125900    
 H   -4.707200     -7.1800001E-02   1.167900    
 H    3.033300      0.4082000       2.328600    
 H    2.609700       1.547900       1.063300    
 H   -2.770500      -2.747100      -2.536300    
 H   -6.173500      -1.460900     -0.2496000    
 H  -0.3440000       3.475100     -0.6438000    
 H   -1.975600       3.453900      -1.376500    
 H   -5.212700      -2.799500      -2.104100    
 H   -1.063000       2.199700      -3.333400    
 H   0.5412000       2.222200      -2.612100    
 H  -0.2151000       3.750900      -3.122500    
 H    4.486000      -1.507400       1.892300    
 H    3.441100       1.277200      -1.225600    
 H    6.318800      -2.385200      0.4862000    
 H    5.277300      0.3917000      -2.623100    
 H    6.718400      -1.439500      -1.772100    


%chk=000055340-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055340

0 1
O -1.518903 1.557900 -1.005517
O -1.215646 2.679508 1.011503
N 1.430420 0.035654 1.370233
C -1.884688 0.313168 1.018571
C -0.895759 -0.224876 2.117313
C -2.218047 0.398263 2.528231
C 0.442752 0.432771 2.401652
C -2.600023 -0.700422 0.156914
C -1.518478 1.628548 0.386854
C -1.884862 -1.724235 -0.511861
C -4.005578 -0.623738 -0.010127
C 2.795719 0.559435 1.595137
C -2.560165 -2.653079 -1.334464
C -4.684162 -1.550448 -0.831967
C -1.167194 2.821569 -1.726010
C -3.962399 -2.568041 -1.498874
C 3.785779 0.041141 0.557494
C -1.282720 2.518703 -3.216126
C 3.717557 -1.299748 0.099302
C 4.807867 0.884353 0.054757
C 4.657325 -1.787482 -0.835648
C 5.752837 0.397175 -0.877661
C 5.680584 -0.941732 -1.326067
H -0.852991 -1.320430 2.126691
H -3.012362 -0.259043 2.893355
H -2.190394 1.402106 2.963289
H 0.808135 0.065806 3.382102
H 0.319281 1.536782 2.489415
H 1.093821 0.261021 0.422638
H -0.797218 -1.788588 -0.386670
H -4.565737 0.164165 0.508176
H 3.109414 0.222057 2.605706
H 2.838850 1.676618 1.616390
H -1.995359 -3.439801 -1.847536
H -5.771357 -1.481137 -0.952458
H -0.144372 3.118181 -1.429614
H -1.862781 3.614273 -1.395931
H -4.487426 -3.288655 -2.136176
H -2.308352 2.205068 -3.474400
H -0.589650 1.711863 -3.509229
H -1.034386 3.422511 -3.802178
H 2.916987 -1.941575 0.482374
H 4.864386 1.926635 0.393775
H 4.594383 -2.826043 -1.181029
H 6.538301 1.061092 -1.256758
H 6.410208 -1.320393 -2.050973


