%chk=000060730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060730

0 1
 O   0.8653000     -0.8100000       1.000000    
 O   -3.169700      -2.355100       1.041000    
 N   -3.114400      0.6818000      0.2844000    
 N   -2.040600      -1.908900       1.729600    
 C   -3.789100       1.243600     -0.8787000    
 C   -2.172200     -0.3543000     -0.1088000    
 C   -1.511100     -0.8744000       1.149200    
 C   -4.800600       2.290400     -0.4225000    
 C   -2.770100       1.848400      -1.840500    
 C  -0.2424000     -0.1869000       1.617400    
 C    2.771400     -0.3109000     -0.3652000    
 C    1.952600     -1.8200001E-02  0.7177000    
 C    2.494300      -1.482100      -1.248900    
 C    3.871500      0.5028000     -0.6364000    
 C    2.215000       1.074600       1.534200    
 C    4.143700       1.602300      0.1779000    
 C    3.315300       1.888200       1.263100    
 C    1.594000      -1.144300      -2.408100    
 C   0.3872000      -1.686900      -2.605300    
 H   -4.345000      0.4557000      -1.402900    
 H   -1.353900      6.0699999E-02 -0.7071000    
 H   -2.629500      -1.140700     -0.7170000    
 H   -3.809600      0.2865000      0.9178000    
 H   -4.311900       3.118400      0.1035000    
 H   -5.544400       1.852500      0.2525000    
 H   -5.339100       2.708700      -1.279800    
 H   -3.279200       2.439900      -2.610500    
 H   -2.072100       2.518700      -1.325700    
 H   -2.194400       1.085300      -2.373900    
 H  -0.3417000      0.8754000       1.362200    
 H  -0.1671000     -0.3004000       2.704300    
 H    2.081600      -2.311400     -0.6600000    
 H    3.438600      -1.872000      -1.651700    
 H    4.524700      0.2934000      -1.479500    
 H    1.616200       1.313600       2.407700    
 H    5.001100       2.235000     -3.2200001E-02
 H    3.531700       2.740100       1.901100    
 H    1.962400     -0.4233000      -3.133900    
 H  -0.2095000      -1.403100      -3.465300    
 H  -2.6400000E-02  -2.414400      -1.915700    
 H   -3.443900      -3.112600       1.585000    


%chk=000060730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060730

0 1
O 0.549524 -0.589843 0.604452
O -3.202137 -2.684315 1.998363
N -3.089680 0.527735 0.233089
N -1.961846 -1.956841 2.320501
C -3.456554 1.198610 -1.048383
C -2.424275 -0.795870 0.104874
C -1.659875 -1.086097 1.383493
C -4.515322 2.278484 -0.747727
C -2.207099 1.819567 -1.710724
C -0.432163 -0.254754 1.660854
C 2.624827 -0.175397 -0.511466
C 1.729689 0.172783 0.543541
C 2.272008 -1.281513 -1.500050
C 3.834661 0.546355 -0.616998
C 2.045622 1.207793 1.456808
C 4.162266 1.588357 0.283225
C 3.262277 1.914584 1.319459
C 1.359233 -0.803910 -2.622271
C 0.199172 -1.403318 -2.989978
H -3.903523 0.464519 -1.765317
H -1.679715 -0.736574 -0.709081
H -3.125107 -1.625149 -0.120733
H -3.899972 0.462320 0.864596
H -4.116498 3.008938 -0.019582
H -5.438355 1.834843 -0.326964
H -4.789977 2.821298 -1.669310
H -2.470917 2.271151 -2.685440
H -1.787430 2.604577 -1.055980
H -1.417618 1.067650 -1.890340
H -0.706577 0.816324 1.584264
H -0.017924 -0.483695 2.660213
H 1.788267 -2.125140 -0.976685
H 3.212721 -1.659848 -1.949334
H 4.534157 0.279854 -1.419156
H 1.363220 1.463768 2.272112
H 5.107981 2.130356 0.178948
H 3.502400 2.714795 2.028476
H 1.702007 0.092002 -3.162741
H -0.402506 -1.028067 -3.826102
H -0.173948 -2.293175 -2.467467
H -3.282313 -3.297057 2.773563


