%chk=000040038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040038

0 1
 N   -2.102700      -1.914400     -0.8764000    
 C    1.932300     -0.1450000     -0.5693000    
 C    2.657700      0.5733000      -1.680400    
 C    3.354800       1.850900      -1.214100    
 C    2.617700     -0.6888000      0.5328000    
 C    4.696300       1.607500     -0.5250000    
 C    4.116900     -0.5848000      0.6662000    
 C    4.608800      0.8559000      0.8020000    
 C   -1.657000      -1.073100      0.2610000    
 C  -0.1744000     -0.9429000      0.3582000    
 C   0.5353000     -0.2816000     -0.6433000    
 C    1.888500      -1.355300       1.532800    
 C   0.5025000      -1.479900       1.446700    
 C   -2.376000      0.2808000      0.2612000    
 C   -3.535200      -2.151200     -0.7792000    
 C   -1.359600      -3.165600     -0.8815000    
 C   -2.595300      0.9068000       1.465300    
 C   -2.771500      0.8139000     -0.9425000    
 C   -3.249300       2.138900       1.465600    
 C   -3.425400       2.046000     -0.9421000    
 C   -3.664300       2.708500      0.2621000    
 H    3.366900     -0.1128000      -2.159300    
 H    1.938600      0.8490000      -2.462600    
 H    3.550100       2.471600      -2.098000    
 H    2.696700       2.436000     -0.5599000    
 H    5.164000       2.581700     -0.3351000    
 H    5.368400       1.072100      -1.207200    
 H    4.438400      -1.135700       1.559500    
 H    4.597000      -1.089000     -0.1814000    
 H    3.984300       1.414700       1.510100    
 H    5.619500      0.8294000       1.229000    
 H   -2.001900      -1.585800       1.174100    
 H   1.0300000E-02  0.1301000      -1.502300    
 H    2.398700      -1.783800       2.392400    
 H  -2.9899999E-02  -2.000500       2.238200    
 H   -4.163600      -1.262400     -0.8701000    
 H   -3.807000      -2.659200      0.1547000    
 H   -3.857100      -2.801800      -1.602200    
 H   -1.750500      -3.832300      -1.660200    
 H   -1.430000      -3.704100      7.1300000E-02
 H  -0.3039000      -3.029200      -1.137500    
 H   -2.274200      0.4702000       2.405800    
 H   -2.573800      0.3442000      -1.900500    
 H   -3.434500       2.655100       2.403100    
 H   -3.741900       2.493600      -1.879700    
 H   -4.171700       3.668700      0.2621000    


%chk=000040038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040038

0 1
N -2.130016 -1.940563 -0.904470
C 1.944383 -0.267112 -0.562718
C 2.691786 0.339645 -1.743384
C 3.350531 1.719006 -1.451852
C 2.625153 -0.632531 0.640039
C 4.686197 1.641727 -0.674034
C 4.126310 -0.433094 0.803191
C 4.593015 1.051135 0.751915
C -1.731004 -1.177202 0.316914
C -0.206134 -1.011913 0.416391
C 0.546175 -0.458803 -0.648965
C 1.871209 -1.186662 1.701701
C 0.474922 -1.379030 1.597472
C -2.404910 0.206533 0.352998
C -3.591098 -2.186244 -0.949119
C -1.393172 -3.216261 -1.059694
C -2.783291 0.774011 1.593708
C -2.608689 0.957601 -0.832252
C -3.348051 2.068373 1.655238
C -3.177422 2.248475 -0.775417
C -3.546596 2.811857 0.469094
H 3.485762 -0.354577 -2.093206
H 1.984638 0.454064 -2.586332
H 3.545766 2.221930 -2.420265
H 2.629608 2.356173 -0.902450
H 5.120250 2.660094 -0.610800
H 5.404744 1.032933 -1.263448
H 4.435479 -0.870789 1.771278
H 4.674927 -0.994693 0.017020
H 3.912623 1.667383 1.372453
H 5.596279 1.116448 1.219187
H -2.055977 -1.730061 1.238988
H 0.024345 -0.183688 -1.573136
H 2.388334 -1.476062 2.625076
H -0.081861 -1.817296 2.435140
H -4.142698 -1.234094 -0.899435
H -3.945345 -2.835897 -0.108861
H -3.847775 -2.686343 -1.899808
H -1.707346 -3.698438 -2.002566
H -1.584266 -3.935602 -0.223301
H -0.309145 -3.030615 -1.109837
H -2.630159 0.202058 2.517840
H -2.337546 0.504352 -1.792509
H -3.635522 2.493422 2.623815
H -3.334541 2.815481 -1.700483
H -3.986871 3.814567 0.513281


