%chk=000031672.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031672

0 1
 O   -5.654100      -1.600400     -0.2908000    
 N   -2.196200     -0.5835000      0.4319000    
 C   0.2624000     -0.2414000      0.5729000    
 C  -0.8951000      -1.148600      4.6200000E-02
 C    1.662100     -0.7284000      0.1959000    
 C   0.1007000       1.233500      0.2098000    
 C  -0.8114000      -2.575500      0.6035000    
 C   -3.278700      -1.378700     -0.1196000    
 C    2.709000     -0.4482000       1.044700    
 C   0.6206000       2.184600       1.059400    
 C    1.823000      -1.429100     -0.9778000    
 C  -0.5588000       1.559600     -0.9545000    
 C   -4.626800     -0.8031000      0.2836000    
 C    3.985700     -0.8926000      0.7010000    
 C   0.4730000       3.531500      0.7278000    
 C    3.099900      -1.873600      -1.321300    
 C  -0.7061000       2.906600      -1.286100    
 C    4.181100      -1.605200     -0.4818000    
 C  -0.1902000       3.892500     -0.4448000    
 H   0.1916000     -0.3050000       1.671700    
 H  -0.8696000      -1.212900      -1.046600    
 H   -2.272500     -0.5469000       1.448100    
 H   0.2075000      -2.972700      0.5753000    
 H   -1.132500      -2.623000       1.650900    
 H   -1.411500      -3.282800      2.1600001E-02
 H   -3.270900      -2.415000      0.2326000    
 H   -3.220700      -1.414500      -1.214700    
 H    2.571300      8.8699996E-02   1.977000    
 H    1.123100       1.922200       1.984200    
 H    1.020900      -1.638200      -1.674000    
 H  -0.9447000      0.8279000      -1.654100    
 H   -4.746700      0.2203000     -8.6499996E-02
 H   -4.759200     -0.7952000       1.370700    
 H    4.827100     -0.6871000       1.356400    
 H   0.8714000       4.299400       1.384600    
 H    3.254000      -2.423400      -2.245200    
 H   -1.215600       3.188100      -2.203100    
 H    5.175300      -1.950800     -0.7497000    
 H  -0.3041000       4.941100     -0.7035000    
 H   -5.572300      -2.496400      7.7699997E-02


%chk=000031672-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031672

0 1
O -5.807854 -1.351891 -0.315281
N -2.180874 -0.798145 0.592529
C 0.234565 -0.241122 0.652161
C -0.839495 -1.285429 0.201447
C 1.649845 -0.697756 0.260509
C -0.020910 1.193749 0.160026
C -0.514214 -2.703201 0.745475
C -3.350852 -1.534345 0.092828
C 2.564555 -1.149915 1.243655
C 0.554199 2.270142 0.882965
C 2.066185 -0.686225 -1.096397
C -0.751163 1.491692 -1.017406
C -4.613818 -0.653713 0.184803
C 3.861126 -1.585868 0.885516
C 0.410171 3.605597 0.446428
C 3.357193 -1.126423 -1.459751
C -0.895007 2.825140 -1.461912
C 4.261619 -1.578769 -0.469688
C -0.314754 3.889189 -0.733853
H 0.198179 -0.219801 1.763653
H -0.829851 -1.341408 -0.907469
H -2.239375 -0.567136 1.592646
H 0.440871 -3.086145 0.346329
H -0.442815 -2.691339 1.850903
H -1.311637 -3.413756 0.461322
H -3.547717 -2.502866 0.623723
H -3.176924 -1.789735 -0.969868
H 2.259408 -1.162567 2.297723
H 1.129982 2.058355 1.793389
H 1.383742 -0.311541 -1.868562
H -1.238625 0.686839 -1.576264
H -4.503484 0.232019 -0.458775
H -4.764465 -0.307885 1.231848
H 4.555507 -1.929071 1.661036
H 0.862854 4.420591 1.022915
H 3.662344 -1.109119 -2.512374
H -1.467955 3.034595 -2.372753
H 5.265897 -1.915090 -0.750835
H -0.430190 4.923190 -1.078070
H -5.954263 -2.167040 0.228825


