%chk=000021739.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021739

0 1
 O   -2.435600      -1.591200      -1.901400    
 O   -4.563200      -1.541300      -1.136500    
 O  -0.9942000      -2.186200       1.219800    
 N   -1.445700     -0.2184000      0.1024000    
 N    1.207300      0.2040000     -0.1156000    
 N    3.103700      -1.544600      0.9167000    
 C   -3.602900       1.025300      0.1717000    
 C   -2.880900     -0.3439000      0.1290000    
 C   -3.123800       1.850300       1.385900    
 C   -3.451700       1.807400      -1.140300    
 C   -3.840700       3.185100       1.537200    
 C   -3.388900      -1.207300      -1.018600    
 C  -0.5712000      -1.172800      0.6644000    
 C   0.8691000     -0.9167000      0.5300000    
 C    2.520500      0.4594000     -0.2499000    
 C    1.785400      -1.781900       1.040500    
 C    3.480800     -0.4260000      0.2729000    
 C    2.947400       1.608600     -0.9113000    
 C    4.832700     -0.1294000      0.1151000    
 C    4.302600       1.896100      -1.063800    
 C    5.249300       1.023400     -0.5483000    
 H   -4.676500      0.8290000      0.2995000    
 H   -3.133100     -0.8988000       1.042400    
 H   -3.284200       1.264400       2.299400    
 H   -2.047200       2.046900       1.320100    
 H   -2.420400       2.142300      -1.291700    
 H   -3.742500       1.205100      -2.006400    
 H   -4.096500       2.691900      -1.148300    
 H   -1.038300      0.5639000     -0.4017000    
 H   -4.927000       3.051200       1.540400    
 H   -3.555700       3.656400       2.483500    
 H   -3.575300       3.879400      0.7347000    
 H   -2.804200      -2.147800      -2.620100    
 H    1.525300      -2.692300       1.565600    
 H    2.215200       2.301800      -1.320600    
 H    5.586200     -0.8054000      0.5144000    
 H    4.613800       2.797400      -1.582800    
 H    6.308100       1.235600     -0.6602000    


%chk=000021739-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021739

0 1
O -2.317334 -0.881661 -2.499644
O -4.474875 -1.296083 -1.749309
O -1.126373 -1.236090 1.949485
N -1.391945 -0.166967 -0.122557
N 1.281582 0.151264 -0.371054
N 3.078799 -0.803282 1.666129
C -3.641518 0.999118 0.125288
C -2.843139 -0.324506 -0.179100
C -3.392671 1.434857 1.593441
C -3.303589 2.112914 -0.891968
C -4.308761 2.586727 2.060172
C -3.315668 -0.895735 -1.514491
C -0.644246 -0.659569 0.921561
C 0.844001 -0.464138 0.748332
C 2.652006 0.309922 -0.508439
C 1.743789 -0.940012 1.765512
C 3.557266 -0.172327 0.519551
C 3.180252 0.952160 -1.670542
C 4.964559 0.002797 0.353245
C 4.561769 1.110154 -1.806891
C 5.456385 0.634296 -0.792658
H -4.711834 0.727664 0.016868
H -3.114775 -1.058763 0.604906
H -3.540656 0.559886 2.255983
H -2.331403 1.731702 1.709495
H -2.245579 2.423530 -0.801437
H -3.480740 1.788799 -1.934149
H -3.930412 3.003929 -0.716279
H -0.873020 0.212870 -0.922672
H -5.376083 2.324755 1.930910
H -4.143765 2.803390 3.131264
H -4.119115 3.520947 1.501350
H -2.688213 -1.246485 -3.348434
H 1.334271 -1.431857 2.652139
H 2.477965 1.305848 -2.431736
H 5.624459 -0.370083 1.142408
H 4.970875 1.601539 -2.696066
H 6.535439 0.769393 -0.922512


