%chk=000059496.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059496

1 1
 O   0.6410000      0.7139000       1.533500    
 N  -0.5345000      0.6079000     -0.4665000    
 N    2.967400     -0.1233000      0.1856000    
 C   -2.436800     -0.7280000      0.3724000    
 C   -3.944500      0.1961000     -0.9820000    
 C   -1.851900      0.6764000      0.1119000    
 C   -3.087500      -1.068300     -0.9710000    
 C   -2.880100       1.301800     -0.8502000    
 C   -3.670900     -0.5798000       1.280000    
 C   -4.705500      7.1599998E-02  0.3495000    
 C   0.6175000      0.6330000      0.3084000    
 C    1.861400      0.5467000     -0.5396000    
 C    2.573100      -1.552600      0.5839000    
 C    4.225900     -0.2032000     -0.6904000    
 C    3.326500      0.6454000       1.465500    
 C    2.213200      -2.335300     -0.6600000    
 C    4.685800       1.197500      -1.031000    
 H   -1.713400      -1.461500      0.7365000    
 H   -4.596400      0.3182000      -1.849100    
 H   -1.790900       1.256000       1.040600    
 H   -3.678300      -1.990100     -0.9426000    
 H   -2.375800      -1.116200      -1.801500    
 H   -2.441400       1.530800      -1.828400    
 H   -3.302700       2.227300     -0.4449000    
 H   -3.473000      2.9100001E-02   2.167700    
 H   -4.029100      -1.560800       1.612400    
 H   -5.577800     -0.5827000      0.2406000    
 H   -5.049200       1.039000      0.7293000    
 H  -0.4547000      0.4842000      -1.471800    
 H    2.142600       1.586600     -0.7403000    
 H    1.691400      6.4700000E-02  -1.506200    
 H    1.733900      -1.518700       1.285000    
 H    3.431800      -2.001600       1.096500    
 H    3.986600     -0.7212000      -1.621800    
 H    4.994500     -0.7584000     -0.1416000    
 H    2.713600      0.2964000       2.300400    
 H    4.367800      0.4234000       1.723100    
 H    3.195800       1.719200       1.303400    
 H    1.930700      -3.349100     -0.3488000    
 H    1.342800      -1.946400      -1.193200    
 H    3.039700      -2.472600      -1.359500    
 H    5.626300       1.126900      -1.590800    
 H    3.991500       1.728200      -1.688000    
 H    4.899900       1.821200     -0.1598000    


%chk=000059496-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059496

1 1
O 0.554449 0.261768 1.611201
N -0.553361 0.593214 -0.410161
N 3.100988 -0.077003 0.243200
C -2.552694 -0.835346 0.258758
C -4.038815 0.322045 -1.032383
C -1.919603 0.594595 0.179015
C -3.199040 -0.983596 -1.148904
C -2.931083 1.377625 -0.733043
C -3.808988 -0.719212 1.175036
C -4.839135 0.065226 0.279955
C 0.571201 0.444396 0.351878
C 1.897134 0.583256 -0.442179
C 2.788867 -1.541603 0.693533
C 4.300051 -0.114128 -0.747660
C 3.492973 0.714835 1.497288
C 2.186146 -2.443464 -0.388641
C 4.732642 1.238641 -1.324805
H -1.835917 -1.609761 0.575850
H -4.666903 0.580150 -1.899073
H -1.819457 1.028182 1.188371
H -3.819748 -1.890888 -1.242541
H -2.472890 -0.967193 -1.984161
H -2.446121 1.712940 -1.671993
H -3.326884 2.277366 -0.233281
H -3.583015 -0.200496 2.123928
H -4.186302 -1.723887 1.433189
H -5.737111 -0.543696 0.076662
H -5.177424 1.006693 0.747374
H -0.477963 0.710003 -1.424659
H 2.140250 1.654054 -0.549942
H 1.809338 0.143151 -1.449840
H 2.101184 -1.444173 1.547197
H 3.754109 -1.939834 1.052128
H 4.010000 -0.803194 -1.557922
H 5.127003 -0.576774 -0.181274
H 2.625237 0.722098 2.172482
H 4.356421 0.217827 1.965971
H 3.760231 1.742082 1.210946
H 2.038604 -3.441082 0.061421
H 1.192580 -2.099979 -0.722920
H 2.838352 -2.585662 -1.266758
H 5.607116 1.056915 -1.974267
H 3.960580 1.706695 -1.957611
H 5.053298 1.958913 -0.554169


