%chk=000002143.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002143

0 1
 O  -0.1533000     -0.4421000     -0.5837000    
 N   -4.153600      -1.005800     -0.4325000    
 N    1.067600       1.236900      -2.149400    
 C   -3.553900      -1.144500      0.9082000    
 C   -3.826000      0.3869000     -0.7924000    
 C   -3.900800      0.1673000       1.620700    
 C   -4.081600       1.184500      0.4911000    
 C   -2.035600      -1.295800      0.6895000    
 C   -2.335500      0.3930000      -1.185900    
 C   -1.425700     -9.5799997E-02 -5.0200000E-02
 C   -5.590400      -1.268900     -0.4396000    
 C   0.8872000     -0.1999000      0.3529000    
 C    1.400800       1.224400      0.2678000    
 C    1.983500      -1.232200      0.1910000    
 C    1.468400       1.871400     -0.9531000    
 C    1.794400       1.845700       1.440500    
 C    2.733500      -1.598300       1.294400    
 C    2.210000      -1.785200      -1.056700    
 C    1.944800       3.181300      -1.004000    
 C    2.270600       3.155700       1.389800    
 C    3.743300      -2.548800       1.145100    
 C    3.219800      -2.735700      -1.206000    
 C    2.346000       3.823500      0.1675000    
 C    3.986400      -3.117600     -0.1051000    
 H   -3.925000      -2.020500       1.452000    
 H   -4.418700      0.7598000      -1.635200    
 H   -3.129600      0.4802000       2.332300    
 H   -4.840800      6.8599999E-02   2.176500    
 H   -5.108000       1.569800      0.5086000    
 H   -3.407800       2.040600      0.6002000    
 H   -1.535300      -1.428100       1.656500    
 H   -1.833100      -2.216800      0.1256000    
 H   -2.185500     -0.2348000      -2.075000    
 H   -2.028400       1.403100      -1.484900    
 H   -1.323500      0.7420000      0.6533000    
 H   -5.782300      -2.309400     -0.1554000    
 H   -5.989700      -1.141700      -1.451900    
 H   -6.163900     -0.6235000      0.2336000    
 H   0.4786000     -0.3596000       1.361700    
 H    1.739000       1.339200       2.399600    
 H    2.552400      -1.165500       2.273700    
 H    1.629200      -1.518900      -1.932600    
 H    2.008800       3.713400      -1.949800    
 H    2.582400       3.656100       2.302000    
 H    4.339800      -2.846800       2.002400    
 H    3.408300      -3.180200      -2.178900    
 H    2.716800       4.843500      0.1282000    
 H    1.119700       1.748500      -3.020900    
 H   0.5937000      0.3467000      -2.136600    
 H    4.772300      -3.858300     -0.2211000    


%chk=000002143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002143

0 1
O -0.148515 -0.751586 -0.544205
N -4.273111 -1.042702 -0.191997
N 1.346315 1.351160 -1.751003
C -3.634753 -0.603877 1.091583
C -3.812411 0.034138 -1.129168
C -3.891844 0.948351 1.166544
C -4.009305 1.380260 -0.335362
C -2.123220 -0.939005 1.001470
C -2.322067 -0.238922 -1.450704
C -1.463098 -0.174253 -0.172400
C -5.746499 -1.175090 -0.110384
C 0.937797 -0.532675 0.453854
C 1.242336 0.946243 0.666142
C 2.134839 -1.365855 -0.033068
C 1.487280 1.818134 -0.448929
C 1.342116 1.463232 1.977179
C 3.453849 -1.025097 0.356893
C 1.928497 -2.528126 -0.818425
C 1.869430 3.168321 -0.193724
C 1.711881 2.804078 2.226986
C 4.547751 -1.830358 -0.032060
C 3.023605 -3.330281 -1.210817
C 1.984735 3.649651 1.124775
C 4.337884 -2.986435 -0.818378
H -4.085034 -1.147020 1.941078
H -4.405500 0.002137 -2.059915
H -3.075899 1.473965 1.693849
H -4.827118 1.160585 1.714652
H -5.001954 1.815921 -0.547096
H -3.252124 2.133467 -0.616651
H -1.629882 -0.686665 1.960062
H -2.015042 -2.024982 0.825213
H -2.238048 -1.251670 -1.884665
H -1.942079 0.490157 -2.191214
H -1.302352 0.884777 0.119576
H -5.997602 -1.977536 0.606070
H -6.137192 -1.472552 -1.099881
H -6.284394 -0.249505 0.207930
H 0.606599 -0.957540 1.426544
H 1.141089 0.789806 2.821451
H 3.624465 -0.124625 0.957234
H 0.910276 -2.784677 -1.124209
H 2.067375 3.836807 -1.041339
H 1.790021 3.179225 3.252268
H 5.562498 -1.552399 0.275291
H 2.850628 -4.223815 -1.822008
H 2.279670 4.692200 1.292625
H 1.597211 1.937715 -2.541449
H 0.923411 0.433999 -1.904251
H 5.186784 -3.609682 -1.122167


