%chk=000047673.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047673

0 1
 N  -0.8258000      0.2215000     -0.2193000    
 N    4.684500       1.273100      0.8737000    
 C   0.2647000     -0.6009000     -0.3899000    
 C    1.568900     -9.7199999E-02 -0.8778000    
 C  -9.8200001E-02  -1.883200     -3.7999999E-02
 C   -1.888800     -0.5473000      0.2448000    
 C    2.492100      0.3575000      0.2707000    
 C   -1.456100      -1.850800      0.3626000    
 C    3.851200      0.8341000     -0.2395000    
 C  -0.9228000       1.593900     -0.4505000    
 C   0.7662000      -3.080200     -7.0400000E-02
 C   -3.124900      0.1189000      0.4881000    
 C   -2.089700       2.216900     -0.2196000    
 C   -3.221300       1.443700      0.2653000    
 H    1.442200      0.7154000      -1.601800    
 H    2.074800     -0.8966000      -1.435200    
 H    2.004200       1.165400      0.8316000    
 H    2.632800     -0.4721000      0.9762000    
 H   -2.055800      -2.685400      0.7003000    
 H    4.358000      2.5300000E-02 -0.7772000    
 H    3.718900       1.667900     -0.9373000    
 H  -5.3599998E-02   2.132500     -0.8054000    
 H    1.666200      -2.926400      0.5337000    
 H   0.2461000      -3.959000      0.3248000    
 H    1.073100      -3.306300      -1.096700    
 H   -3.977300     -0.4455000      0.8503000    
 H   -2.212100       3.280900     -0.3814000    
 H   -4.152500       1.970300      0.4441000    
 H    5.603900       1.538400      0.5233000    
 H    4.836800      0.4963000       1.515700    


%chk=000047673-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047673

0 1
N -0.779826 0.187708 -0.196600
N 4.663833 1.504396 0.831674
C 0.287300 -0.696069 -0.400916
C 1.642149 -0.230876 -0.857927
C -0.172002 -1.998278 -0.082034
C -1.932506 -0.554957 0.253326
C 2.504774 0.424536 0.259399
C -1.539583 -1.909894 0.321016
C 3.885530 0.879335 -0.254976
C -0.839528 1.568938 -0.376404
C 0.654600 -3.258675 -0.168454
C -3.136265 0.161349 0.509083
C -2.021191 2.250032 -0.126675
C -3.191098 1.544905 0.324467
H 1.545005 0.485646 -1.702040
H 2.187839 -1.103664 -1.264074
H 1.987808 1.299260 0.696421
H 2.635735 -0.305943 1.083799
H -2.178796 -2.737047 0.625772
H 4.392401 0.003521 -0.734185
H 3.742420 1.635720 -1.052038
H 0.073623 2.062109 -0.715507
H 1.567274 -3.198794 0.454522
H 0.074106 -4.131033 0.176878
H 0.980122 -3.466886 -1.205999
H -4.011634 -0.399625 0.850747
H -2.044923 3.333127 -0.274745
H -4.115834 2.095429 0.521441
H 5.527012 1.966626 0.531505
H 4.817353 0.890204 1.637725


