%chk=000010803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010803

1 1
 O    4.691800       2.765200      0.6734000    
 N   0.6034000      -1.353200      4.8599999E-02
 N   -3.890800      0.4082000      0.3415000    
 N   -2.212800       1.349600      -1.109500    
 N   -3.376900      -1.461300       1.707200    
 C    1.526600     -0.5486000      0.5927000    
 C    2.745800     -0.3596000     -4.2399999E-02
 C  -0.6813000      -1.551100      0.7207000    
 C    3.796800      0.5280000      0.5328000    
 C   0.8069000      -1.999200      -1.107800    
 C   -1.694800     -0.5359000      0.2681000    
 C    2.984400      -1.018300      -1.245000    
 C    1.218200      0.1321000       1.884700    
 C    2.007400      -1.847900      -1.787000    
 C    3.680000       1.979300      5.6800000E-02
 C   -2.978900     -0.5009000      0.7448000    
 C   -1.352400      0.4116000     -0.6617000    
 C   -3.446800       1.290800     -0.5737000    
 C   -4.426600       2.311600      -1.044200    
 H  -0.5407000      -1.556500       1.805400    
 H   -1.035800      -2.557300      0.4593000    
 H    4.789000      0.1512000      0.2458000    
 H    3.826300      0.4740000       1.627800    
 H   9.8999999E-03  -2.628600      -1.486300    
 H    3.926500     -0.8922000      -1.771900    
 H   0.1881000      0.4906000       1.945400    
 H    1.410600     -0.5499000       2.719200    
 H    1.812300       1.034400       2.048900    
 H    2.180300      -2.365400      -2.724500    
 H    2.706000       2.414500      0.3025000    
 H    3.812000       2.046700      -1.028200    
 H  -0.3773000      0.5027000      -1.121300    
 H   -2.688200      -1.815100       2.358700    
 H   -4.336300      -1.405900       2.027900    
 H    4.550600       2.721500       1.634500    
 H   -4.457700       3.146500     -0.3381000    
 H   -4.148400       2.697300      -2.030000    
 H   -5.428400       1.877600      -1.120200    


%chk=000010803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000010803

1 1
O 4.814853 2.848015 0.407439
N 0.653612 -1.470071 0.028683
N -3.847823 0.534377 0.479884
N -2.324679 1.311571 -1.242440
N -3.394817 -1.290893 1.846443
C 1.540357 -0.579620 0.631016
C 2.827110 -0.395261 0.043505
C -0.725513 -1.677383 0.594249
C 3.848431 0.566519 0.613914
C 0.963690 -2.149192 -1.129893
C -1.702724 -0.591229 0.173933
C 3.139155 -1.101810 -1.147676
C 1.095981 0.122617 1.889161
C 2.207444 -1.978106 -1.740597
C 3.673173 2.019781 0.056968
C -2.974632 -0.458678 0.832324
C -1.457595 0.326880 -0.868597
C -3.502412 1.383014 -0.532096
C -4.484535 2.459049 -0.902126
H -0.634420 -1.722193 1.695336
H -1.055923 -2.678658 0.257663
H 4.863194 0.241678 0.324795
H 3.826825 0.587899 1.717964
H 0.193258 -2.810509 -1.530708
H 4.123988 -0.963432 -1.605915
H 0.090924 0.564941 1.777649
H 1.069411 -0.572882 2.750401
H 1.789028 0.932651 2.149035
H 2.435759 -2.525837 -2.657300
H 2.711868 2.460244 0.397397
H 3.667922 1.994472 -1.045909
H -0.521222 0.294378 -1.440182
H -2.906395 -2.136418 2.127848
H -4.316618 -1.102558 2.242459
H 4.751202 3.171288 1.340694
H -4.813552 3.009713 -0.004263
H -4.034662 3.151747 -1.627390
H -5.390863 2.010396 -1.348767


