%chk=000046794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046794

0 1
 O    1.854600      -1.750900     -0.7959000    
 N    1.651900       2.715400      0.1247000    
 N    6.270200      -1.070600      0.1632000    
 C   0.5029000      0.8198000     -0.1276000    
 C    1.887000      0.5545000     -0.3249000    
 C   0.3827000       2.182600      0.1530000    
 C    4.049600     -0.7804000     -0.8143000    
 C    4.839100      -1.049900      0.4761000    
 C    2.513500     -0.6985000     -0.6370000    
 C  -0.6628000      2.8800000E-02 -0.1609000    
 C    2.567600       1.739300     -0.1634000    
 C   -1.902600      0.6293000      8.7200001E-02
 C  -0.8498000       2.796400      0.4029000    
 C   -1.992300       1.991900      0.3645000    
 C   -3.104600     -0.1767000      5.5000000E-02
 C    4.464200      -2.391700       1.106400    
 C   -3.559500     -0.7960000       1.218800    
 C   -3.807100     -0.3329000      -1.139500    
 C   -4.717900      -1.572300       1.188100    
 C   -4.965600      -1.109300      -1.170100    
 C   -5.421000      -1.729000     -6.3000000E-03
 H    4.233800      -1.585300      -1.540300    
 H    4.401700      0.1319000      -1.310200    
 H    4.647400     -0.2536000       1.203600    
 H  -0.6008000      -1.034600     -0.3761000    
 H    3.617100       1.992400     -0.2185000    
 H    1.874500       3.686800      0.2934000    
 H  -0.9205000       3.857200      0.6189000    
 H   -2.958400       2.455000      0.5570000    
 H    5.080600      -2.594200       1.989700    
 H    3.419600      -2.392600       1.434100    
 H    4.599400      -3.221100      0.4030000    
 H    6.536400     -0.1920000     -0.2800000    
 H    6.465200      -1.801500     -0.5203000    
 H   -3.023500     -0.6842000       2.158300    
 H   -3.466000      0.1432000      -2.055700    
 H   -5.072600      -2.054900       2.094100    
 H   -5.513300      -1.231400      -2.100100    
 H   -6.323000      -2.333500     -3.0200001E-02


%chk=000046794-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046794

0 1
O 1.782432 -1.571051 -1.279014
N 1.750597 2.714907 0.551920
N 6.274404 -1.074781 0.037005
C 0.545689 0.859667 -0.033023
C 1.953913 0.626881 -0.352292
C 0.451290 2.173696 0.534222
C 4.044061 -0.680607 -1.122848
C 4.808491 -1.051888 0.210898
C 2.528267 -0.588437 -0.950983
C -0.624402 0.075547 -0.166552
C 2.645860 1.793165 0.024075
C -1.870332 0.602392 0.256453
C -0.775786 2.722042 0.960533
C -1.924164 1.923502 0.812642
C -3.120454 -0.203279 0.126162
C 4.347642 -2.413344 0.763621
C -4.178782 -0.072859 1.068353
C -3.287136 -1.130853 -0.939875
C -5.359889 -0.835795 0.948297
C -4.465595 -1.897533 -1.059332
C -5.510683 -1.753594 -0.116838
H 4.250443 -1.469064 -1.869921
H 4.457153 0.275385 -1.501334
H 4.577119 -0.269980 0.961548
H -0.538777 -0.935844 -0.571624
H 3.706033 2.026396 -0.054332
H 1.995662 3.640437 0.899139
H -0.846134 3.731611 1.379561
H -2.895401 2.337984 1.103533
H 4.881663 -2.635666 1.703175
H 3.261675 -2.424438 0.952797
H 4.563159 -3.221324 0.037544
H 6.678250 -0.199578 -0.314658
H 6.608387 -1.886876 -0.494492
H -4.064030 0.606973 1.920495
H -2.498037 -1.234310 -1.693054
H -6.157071 -0.722785 1.691988
H -4.571552 -2.601107 -1.892828
H -6.426263 -2.348190 -0.210262


