%chk=000023431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023431

0 1
 O  -0.6905000     -0.1062000      -2.178500    
 N   0.9170000       1.205100      0.3665000    
 N    2.988700      -1.925700      0.1934000    
 C    2.551900     -0.5987000     -0.2392000    
 C    1.475600     -9.3300000E-02  0.7339000    
 C    3.769400      0.3228000     -0.2975000    
 C  -0.1672000       1.398600     -0.4353000    
 C    1.420200       2.399600      0.7866000    
 C    3.606700      -1.854000       1.516800    
 C    3.921900      -2.498000     -0.7762000    
 C  -0.3676000       2.757800     -0.5345000    
 C   0.6365000       3.391000      0.2386000    
 C  -0.9344000      0.3568000      -1.046900    
 C   -2.115700     -0.2455000     -0.3522000    
 C   -2.444200      0.2157000      0.8996000    
 C   -2.820000      -1.233800     -0.9963000    
 C   -3.544700     -0.3458000       1.547100    
 C   -3.920700      -1.795300     -0.3488000    
 C   -4.283100      -1.351200      0.9228000    
 H    2.107800     -0.6660000      -1.240800    
 H    1.854100      5.6000002E-02   1.750900    
 H   0.6448000     -0.8047000      0.8071000    
 H    4.150500      0.6109000      0.6873000    
 H    3.484200       1.260200     -0.7910000    
 H    4.598200     -5.3800002E-02 -0.9015000    
 H    2.283100       2.459500       1.436400    
 H    2.914900      -1.553600       2.307500    
 H    4.514800      -1.246500       1.573200    
 H    3.912400      -2.867700       1.809500    
 H    4.028100      -3.571000     -0.5759000    
 H    4.930800      -2.074700     -0.7394000    
 H    3.538400      -2.419500      -1.799800    
 H   -1.150400       3.244100      -1.100400    
 H   0.7739000       4.453600      0.3816000    
 H   -1.895900      0.9932000       1.419500    
 H   -2.560200      -1.598200      -1.984900    
 H   -3.826900     -7.9999998E-04   2.537600    
 H   -4.495700      -2.578400     -0.8345000    
 H   -5.139800      -1.788500       1.427000    


%chk=000023431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023431

0 1
O -0.202407 -1.423282 -0.147503
N 1.152441 0.998025 0.874015
N 3.691584 -1.800929 0.401996
C 2.850183 -0.661546 -0.058573
C 2.075386 -0.120237 1.178068
C 3.612188 0.444675 -0.833646
C -0.188447 0.915318 0.425206
C 1.485923 2.332859 1.028551
C 4.962684 -1.449863 1.060849
C 3.852607 -2.871811 -0.598357
C -0.664146 2.248543 0.292055
C 0.385491 3.133329 0.664747
C -0.857852 -0.346203 0.087576
C -2.362045 -0.370402 -0.005149
C -3.202161 0.431036 0.813913
C -2.953921 -1.304092 -0.897823
C -4.606838 0.312061 0.724880
C -4.355426 -1.412034 -0.995698
C -5.187212 -0.601258 -0.185235
H 2.079913 -1.093027 -0.721999
H 2.783479 0.243693 1.945925
H 1.504245 -0.962408 1.595959
H 4.343968 0.971613 -0.192359
H 2.909357 1.195582 -1.235798
H 4.160881 0.008000 -1.688599
H 2.470850 2.621107 1.392684
H 4.799714 -0.692431 1.848172
H 5.744181 -1.056418 0.363990
H 5.376882 -2.350889 1.550226
H 4.316593 -3.755054 -0.120740
H 4.492837 -2.587406 -1.472183
H 2.861799 -3.173591 -0.979343
H -1.648628 2.524002 -0.080621
H 0.359366 4.221388 0.669683
H -2.757695 1.116945 1.542065
H -2.292930 -1.938979 -1.497075
H -5.246811 0.923783 1.370517
H -4.801781 -2.126912 -1.695761
H -6.277352 -0.689188 -0.255317


