%chk=000044232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044232

0 1
 O    2.919400      -1.704500      0.9192000    
 O  -0.6822000       1.489200     -0.5517000    
 N    4.002500     -0.5287000     -0.7659000    
 N   -1.764600      0.2957000       1.119300    
 N   -2.917900       1.010300      0.9726000    
 N    6.773900       1.940500     -0.4033000    
 C    1.716500      3.0400001E-02 -0.2697000    
 C   0.5053000     -0.2785000      0.6041000    
 C    2.922800     -0.8389000      4.8200000E-02
 C  -0.6911000      0.6099000      0.3056000    
 C    5.274300      -1.207700     -0.6756000    
 C    6.226300     -0.5331000      0.3048000    
 C   -4.025500      0.4115000      0.3605000    
 C   -5.110400       1.191200     -5.8499999E-02
 C   -4.060900     -0.9739000      0.1610000    
 C   -6.214200      0.5944000     -0.6677000    
 C   -5.164600      -1.570600     -0.4483000    
 C   -6.241300     -0.7863000     -0.8627000    
 C    6.531800      0.8493000     -9.1799997E-02
 H    1.459000     -0.1117000      -1.326500    
 H    2.009600       1.080000     -0.1428000    
 H   0.7676000     -0.1543000       1.662100    
 H   0.2010000      -1.323100      0.4635000    
 H    5.702000      -1.219700      -1.684500    
 H    5.103400      -2.245600     -0.3693000    
 H    3.906700      0.2095000      -1.457500    
 H   -1.750500     -0.3998000       1.857500    
 H    5.788200     -0.5323000       1.309700    
 H    7.155800      -1.110800      0.3592000    
 H   -2.873600       2.013900       1.093700    
 H   -5.102700       2.268800      8.6999997E-02
 H   -3.246600      -1.621800      0.4744000    
 H   -7.052600       1.204800     -0.9904000    
 H   -5.187100      -2.646000     -0.5991000    
 H   -7.100900      -1.251100      -1.336800    


%chk=000044232-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044232

0 1
O 2.771065 -1.798677 -0.154207
O -0.956666 0.980662 -1.339298
N 4.161448 -0.098696 -0.887984
N -1.659807 0.819952 0.871802
N -2.935218 1.350145 0.628442
N 6.739128 1.087812 1.629947
C 1.765894 0.414176 -0.592491
C 0.594018 0.003572 0.316370
C 2.920205 -0.587273 -0.509836
C -0.718985 0.639910 -0.145003
C 5.343658 -0.967247 -0.902615
C 5.936322 -1.198512 0.521004
C -4.010930 0.476834 0.294733
C -5.213899 1.047955 -0.201645
C -3.935077 -0.923625 0.505206
C -6.320718 0.223521 -0.485994
C -5.053256 -1.736922 0.218395
C -6.252055 -1.174966 -0.276459
C 6.387173 0.054405 1.147128
H 1.387462 0.441765 -1.634245
H 2.115781 1.437324 -0.357783
H 0.804975 0.242968 1.375741
H 0.493861 -1.098718 0.257370
H 6.104490 -0.526044 -1.568142
H 5.046926 -1.952866 -1.300516
H 4.267214 0.892133 -1.110570
H -1.420351 0.636499 1.848720
H 5.160030 -1.670927 1.149915
H 6.787515 -1.902405 0.456895
H -2.909072 2.244278 0.128740
H -5.277779 2.131240 -0.363888
H -3.007048 -1.371871 0.873821
H -7.240735 0.675520 -0.873807
H -4.981874 -2.818821 0.379092
H -7.114296 -1.812102 -0.498538


