%chk=000029855.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029855

0 1
 N   -4.745000     -0.6354000       1.433000    
 N    4.744200     -0.6347000       1.432700    
 C   -3.589400       1.708800      0.1984000    
 C    3.587900       1.709400      0.1985000    
 C  -5.0000002E-04  -1.212700      -1.660300    
 C   -2.987500      0.3488000      5.5199999E-02
 C    2.986400      0.3493000      5.5100001E-02
 C   -1.243300      -1.056100     -0.8511000    
 C    1.254600      -1.054300     -0.8431000    
 C   -1.825000      0.2028000     -0.7018000    
 C    1.823900      0.2031000     -0.7018000    
 C   -3.568400     -0.7643000      0.6628000    
 C    3.567300     -0.7636000      0.6629000    
 C   -1.824200      -2.169100     -0.2433000    
 C    1.823400      -2.168800     -0.2433000    
 C   -4.039500       2.295600      -1.151800    
 C   -2.646600       2.695100      0.9110000    
 C    2.644500       2.695400      0.9110000    
 C    4.038200       2.296600      -1.151400    
 C   -2.986600      -2.023100      0.5137000    
 C    2.985800      -2.022700      0.5137000    
 H   -4.492100       1.702800      0.8098000    
 H    4.490800       1.703500      0.8094000    
 H   3.1000001E-03  -2.191600      -2.159700    
 H   2.9000000E-03 -0.4923000      -2.490100    
 H   -1.364400       1.063300      -1.180600    
 H    1.361600       1.061600      -1.181300    
 H   -1.382500      -3.156200     -0.3520000    
 H    1.380000      -3.154400     -0.3534000    
 H   -3.194700       2.474600      -1.825500    
 H   -4.552000       3.252600      -1.003600    
 H   -4.735500       1.617400      -1.657900    
 H   -2.342000       2.304500       1.888400    
 H   -3.147000       3.655800       1.074900    
 H   -1.738900       2.890500      0.3300000    
 H    1.736800       2.890400      0.3297000    
 H    3.144500       3.656400       1.074900    
 H    2.339900       2.304600       1.888300    
 H    4.734600       1.618600      -1.657400    
 H    4.550200       3.253700      -1.003000    
 H    3.193400       2.475200      -1.825300    
 H   -3.428700      -2.899100      0.9816000    
 H    3.427900      -2.898600      0.9816000    
 H   -5.233400      0.2328000       1.575200    
 H   -5.134600      -1.468200       1.857700    
 H    5.134100      -1.467500       1.857000    
 H    5.218600      0.2376000       1.595500    


%chk=000029855-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029855

0 1
N -4.305980 0.514980 1.928921
N 5.393148 -0.911690 0.457039
C -4.237490 1.592433 -0.799595
C 3.658827 1.427398 0.800530
C -0.031301 -1.268971 -1.556943
C -3.200173 0.585581 -0.285335
C 3.181424 0.145459 0.105573
C -1.138879 -0.770741 -0.628631
C 1.387467 -1.182484 -0.993955
C -2.130485 0.127509 -1.091418
C 1.865965 0.006892 -0.388441
C -3.277717 0.108453 1.064579
C 4.073346 -0.974335 -0.015620
C -1.233977 -1.221206 0.711793
C 2.282488 -2.273113 -1.096576
C -4.365659 1.640667 -2.339599
C -3.941384 3.019262 -0.246914
C 3.667738 1.238185 2.347508
C 2.846914 2.689471 0.428807
C -2.284284 -0.792701 1.542573
C 3.604289 -2.173083 -0.618660
H -5.236047 1.280648 -0.416880
H 4.705566 1.625944 0.475892
H -0.227112 -2.325056 -1.835494
H -0.088223 -0.693199 -2.504015
H -2.064956 0.478500 -2.128520
H 1.172668 0.850680 -0.297461
H -0.473861 -1.906249 1.106219
H 1.945973 -3.211523 -1.555795
H -3.446845 2.038785 -2.808709
H -5.198223 2.307502 -2.630831
H -4.560556 0.638578 -2.762364
H -3.835583 3.021344 0.853026
H -4.746907 3.726223 -0.522929
H -2.993009 3.396498 -0.671914
H 2.632391 1.111256 2.713301
H 4.106533 2.120001 2.852213
H 4.238955 0.341559 2.649543
H 2.802928 2.835338 -0.665604
H 3.311103 3.586001 0.879964
H 1.810495 2.629001 0.808836
H -2.344956 -1.154539 2.577538
H 4.284313 -3.030443 -0.707348
H -5.061879 1.111716 1.611046
H -4.371864 0.114951 2.860046
H 6.022562 -1.694513 0.307915
H 5.775057 -0.058868 0.850990


