%chk=000002022.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002022

0 1
 O    2.584000      0.3522000      6.3699998E-02
 O   -3.799900      0.9358000     -0.9813000    
 O    4.218800      -1.432000      -1.340900    
 N   0.4335000      0.9970000      0.6027000    
 N  -0.6945000      -1.157800      0.5860000    
 N   -1.242800       2.214500     -0.2604000    
 N   -2.936800      -1.094700     -0.2715000    
 N   -1.947100      -3.097500      0.4806000    
 C  -0.6018000      0.1571000      0.3712000    
 C    1.729600      0.6821000       1.150300    
 C   -1.615800      0.9044000     -0.1528000    
 C  -4.3000001E-03   2.239700      0.2026000    
 C   -2.875900      0.2839000     -0.5102000    
 C   -1.908900      -1.747200      0.2401000    
 C    3.899700      5.2900001E-02  0.5095000    
 C    4.762300     -0.2903000     -0.6896000    
 H    2.100200       1.563200       1.685500    
 H    1.628200     -0.1595000       1.843300    
 H   0.6218000       3.118900      0.2712000    
 H   5.8200002E-02  -1.717700      0.9727000    
 H    4.320500      0.9164000       1.036100    
 H    3.855800     -0.8035000       1.192300    
 H    5.786600     -0.5200000     -0.3834000    
 H    4.781100      0.5309000      -1.413000    
 H   -1.151400      -3.587700      0.8742000    
 H   -2.775300      -3.644300      0.2717000    
 H    3.304400      -1.216600      -1.592800    


%chk=000002022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002022

0 1
O 2.614010 0.855228 0.116417
O -3.882398 0.400300 -0.655881
O 2.492669 -2.009982 -0.397413
N 0.443608 1.567554 0.724716
N 0.014748 -0.835151 0.202071
N -1.655010 2.383206 0.304306
N -2.291211 -1.316867 -0.396903
N -0.682045 -3.032752 -0.284527
C -0.348086 0.490705 0.338809
C 1.823950 1.501756 1.169293
C -1.637626 0.986242 0.086858
C -0.412189 2.702852 0.672641
C -2.706371 0.065048 -0.352688
C -1.045515 -1.693534 -0.157725
C 3.635696 -0.102597 0.564426
C 3.725032 -1.194671 -0.493780
H 2.176838 2.533865 1.350979
H 1.903911 0.909593 2.106768
H -0.052736 3.700487 0.916110
H 1.001972 -1.147305 0.078226
H 4.618011 0.400761 0.668119
H 3.359969 -0.549721 1.543261
H 4.611484 -1.830726 -0.303639
H 3.806769 -0.729127 -1.494540
H 0.114916 -3.403312 0.231414
H -1.439628 -3.662973 -0.542085
H 2.339434 -2.508682 -1.237433


