%chk=000126379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126379

0 1
 O   -2.164400      0.7137000      0.1163000    
 O   -4.469300      0.1563000      -1.771300    
 O   -3.076300      0.5332000       2.759300    
 O    4.220400      0.2779000      0.4016000    
 O    1.811100      -3.639700      0.8706000    
 N  -0.3246000     -0.5712000     -0.6573000    
 N   0.5592000       1.609700     -0.3429000    
 N    2.282600      -1.566600     -0.1321000    
 N    2.810500       2.072800      0.1829000    
 N    1.228500       3.792600     -7.5099997E-02
 C   -3.929400     -0.6335000     -0.7143000    
 C   -3.508600      0.2916000      0.4181000    
 C   -2.618700      -1.238500      -1.159100    
 C   -1.646400     -8.6099997E-02 -0.9593000    
 C   -3.488600     -0.4006000       1.774600    
 C   0.7274000      0.2389000     -0.3799000    
 C    1.968700     -0.2361000     -0.1295000    
 C    3.096300      0.7188000      0.1734000    
 C    1.591900       2.471000     -6.6600002E-02
 C    3.287300      -2.073500      -1.060400    
 C    1.642300      -2.430800      0.7509000    
 H   -4.677200      -1.379900     -0.4317000    
 H   -4.121400       1.198400      0.4707000    
 H   -2.363800      -2.087100     -0.5125000    
 H   -2.621100      -1.586800      -2.196800    
 H   -1.628300      0.5406000      -1.860100    
 H   -2.776500      -1.231900       1.790400    
 H   -4.483800     -0.7714000       2.038500    
 H  -0.1373000      -1.561400     -0.7723000    
 H   -5.289600      0.5614000      -1.441700    
 H  -0.3715000       1.968900     -0.5198000    
 H   -3.076000      6.7800000E-02   3.613100    
 H    4.241800      -2.166100     -0.5338000    
 H    3.391000      -1.409300      -1.923800    
 H    2.992900      -3.068900      -1.407600    
 H   0.9321000      -1.907500       1.414300    
 H   0.2756000       4.078500     -0.2717000    
 H    1.904800       4.524000      0.1150000    


%chk=000126379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126379

0 1
O -2.253845 1.008424 -0.963707
O -4.992844 -1.182675 -0.905417
O -2.443927 1.988787 1.654794
O 3.994969 0.102799 0.911437
O 1.906550 -3.974138 0.595473
N -0.515331 -0.678010 -0.747610
N 0.229650 1.449539 0.020615
N 2.094759 -1.757799 -0.197719
N 2.436937 1.864914 0.899882
N 0.812311 3.556752 0.886832
C -3.603358 -0.971830 -0.491600
C -3.303057 0.493074 -0.036953
C -2.722505 -1.182662 -1.749924
C -1.595728 -0.151925 -1.605769
C -2.817956 0.585525 1.413687
C 0.527448 0.113529 -0.247875
C 1.792585 -0.376751 0.065524
C 2.823092 0.515760 0.649988
C 1.206514 2.263379 0.605741
C 3.120806 -2.078955 -1.217338
C 1.662699 -2.740359 0.693820
H -3.324256 -1.685573 0.311484
H -4.180174 1.143624 -0.195123
H -2.368892 -2.221991 -1.848598
H -3.339396 -0.933599 -2.629588
H -1.211915 0.248476 -2.563055
H -1.951776 -0.089238 1.568355
H -3.644670 0.274090 2.089126
H -0.260781 -1.661006 -0.880772
H -5.576567 -1.270551 -0.110633
H -0.750894 1.755636 -0.112576
H -2.117464 2.086194 2.584377
H 4.056819 -1.555195 -0.957537
H 2.782809 -1.765175 -2.220991
H 3.284930 -3.168553 -1.201357
H 1.046210 -2.302888 1.513173
H -0.126446 3.898385 0.695710
H 1.514294 4.169185 1.294227


