%chk=000028940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028940

1 1
 N   -3.826600      0.6734000     -5.5000000E-03
 C   -3.078400     -0.5004000      0.5011000    
 C   -2.959500       1.504100     -0.9632000    
 C   -4.263900       1.585200       1.150600    
 C   -5.086300      0.2334000     -0.7659000    
 C   -2.647300      -1.400900     -0.6499000    
 C   -1.906400      -2.683100     -0.2521000    
 C  -0.5693000      -2.483800      0.4678000    
 C   -1.708200       1.952800     -0.2405000    
 C   -5.121600      0.7929000       2.112900    
 C   -5.842200       1.459500      -1.229400    
 C   0.4847000      -1.778600     -0.3899000    
 C    1.766500      -1.525800      0.4084000    
 C    2.848900     -0.7969000     -0.3928000    
 C    4.139000     -0.5662000      0.3974000    
 C    5.156800      0.2285000     -0.4238000    
 C    6.432600      0.4938000      0.3776000    
 C    7.462400       1.258600     -0.4535000    
 C    8.718700       1.553400      0.3506000    
 H   -3.747300      -1.100800       1.126100    
 H   -2.248600     -0.1792000       1.135700    
 H   -3.499700       2.413500      -1.237100    
 H   -2.755100      0.9395000      -1.876300    
 H   -4.733500       2.498500      0.7794000    
 H   -3.370000       1.880500       1.707300    
 H   -5.684400     -0.4420000     -0.1492000    
 H   -4.777800     -0.3074000      -1.665000    
 H   -2.014300     -0.8753000      -1.367700    
 H   -3.517300      -1.757900      -1.208900    
 H   -1.735600      -3.284100      -1.154200    
 H   -2.561300      -3.279500      0.3954000    
 H  -0.1852000      -3.468100      0.7636000    
 H  -0.7311000      -1.924400       1.396300    
 H   -1.891400       2.640900      0.5874000    
 H   -1.068400       1.136800      9.9699996E-02
 H   -1.095100       2.521400     -0.9516000    
 H   -6.045700      0.4061000       1.679600    
 H   -5.439100       1.469700       2.916500    
 H   -4.587700     -1.5200000E-02   2.618900    
 H   -6.715100       1.107500      -1.796000    
 H   -5.305200       2.099600      -1.930900    
 H   -6.268100       2.060800     -0.4237000    
 H   0.1065000     -0.8170000     -0.7500000    
 H   0.7107000      -2.388800      -1.272400    
 H    2.166400      -2.484600      0.7611000    
 H    1.526800     -0.9348000       1.301200    
 H    2.450900      0.1692000     -0.7277000    
 H    3.078300      -1.374900      -1.296600    
 H    3.907900     -2.1800000E-02   1.321100    
 H    4.568700      -1.531900      0.6894000    
 H    5.403400     -0.3266000      -1.337000    
 H    4.715600       1.183300     -0.7347000    
 H    6.864100     -0.4584000      0.7095000    
 H    6.186000       1.068300       1.278800    
 H    7.031100       2.203700     -0.8036000    
 H    7.731300      0.6756000      -1.342000    
 H    8.488000       2.164600       1.229000    
 H    9.441900       2.099700     -0.2629000    
 H    9.192800      0.6272000      0.6910000    


%chk=000028940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028940

1 1
N -4.007881 0.686636 -0.098581
C -3.061526 -0.497737 0.245180
C -3.427310 1.547645 -1.252221
C -4.167692 1.582089 1.159945
C -5.379402 0.110875 -0.545267
C -2.620543 -1.378061 -0.936586
C -1.857824 -2.635978 -0.428271
C -0.566637 -2.358295 0.382324
C -2.029775 2.130155 -1.007069
C -4.862286 0.922217 2.357692
C -6.483045 1.141304 -0.814662
C 0.518256 -1.560492 -0.378172
C 1.834997 -1.427520 0.420838
C 2.933363 -0.640942 -0.329313
C 4.246639 -0.514720 0.475767
C 5.356927 0.249839 -0.279876
C 6.665677 0.383503 0.531100
C 7.781607 1.136195 -0.229176
C 9.081558 1.274592 0.592058
H -3.602697 -1.110719 0.986016
H -2.186548 -0.053585 0.747519
H -4.153954 2.359617 -1.417515
H -3.429577 0.901030 -2.145050
H -4.719205 2.479305 0.832591
H -3.147759 1.894252 1.437141
H -5.685940 -0.590824 0.247624
H -5.178582 -0.476623 -1.455662
H -1.967554 -0.813351 -1.625745
H -3.493257 -1.727358 -1.519914
H -1.598118 -3.244361 -1.315718
H -2.548399 -3.254537 0.180263
H -0.139209 -3.336498 0.677458
H -0.804477 -1.844005 1.337107
H -2.002355 2.859976 -0.181498
H -1.262984 1.357833 -0.829564
H -1.732100 2.673878 -1.921236
H -5.904680 0.630194 2.148267
H -4.895431 1.665093 3.174228
H -4.315204 0.047546 2.745613
H -7.391421 0.584791 -1.106298
H -6.248154 1.821699 -1.649456
H -6.746820 1.740327 0.072744
H 0.150457 -0.540679 -0.628573
H 0.726923 -2.058545 -1.347484
H 2.214367 -2.441553 0.662507
H 1.629254 -0.935105 1.394708
H 2.558865 0.374983 -0.578522
H 3.145593 -1.140152 -1.297509
H 4.040162 -0.003333 1.439337
H 4.615027 -1.528796 0.735817
H 5.572383 -0.268147 -1.237742
H 4.989447 1.262457 -0.549846
H 7.031890 -0.627101 0.808249
H 6.455611 0.909901 1.485800
H 7.413699 2.143356 -0.513769
H 7.997925 0.604770 -1.178421
H 8.901471 1.831872 1.530662
H 9.862780 1.812806 0.025109
H 9.486768 0.281881 0.864452


