%chk=000044429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044429

0 1
 O   -1.724000      -1.152400     -0.6874000    
 N    2.625700      9.4400004E-02  0.1793000    
 N  -0.9910000      0.1920000       1.057400    
 C    1.246500      0.5625000      0.1369000    
 C   0.3755000     -0.2737000       1.063000    
 C    3.477400      0.9188000     -0.6807000    
 C    2.706900      -1.310700     -0.2245000    
 C    3.409100       2.382700     -0.2798000    
 C    4.130800      -1.830400     -0.1206000    
 C   -3.290900      0.3569000      0.3748000    
 C   -1.936500     -0.2967000      0.1675000    
 C   -4.345700     -0.1674000     -0.5949000    
 C   -5.683800      0.5241000     -0.3909000    
 H   0.8449000      0.5381000     -0.8851000    
 H    1.160500       1.596000      0.4901000    
 H   0.7313000     -0.2106000       2.097500    
 H   0.3289000      -1.327400      0.7803000    
 H    4.528200      0.6313000     -0.5717000    
 H    3.212500      0.8149000      -1.740400    
 H    2.141000      -1.955300      0.4524000    
 H    2.322400      -1.471600      -1.239300    
 H   -1.256000      0.9083000       1.727300    
 H    2.478600       2.862100     -0.5995000    
 H    3.528600       2.515800      0.8010000    
 H    4.222900       2.932800     -0.7663000    
 H    4.770700      -1.462400     -0.9286000    
 H    4.588200      -1.574300      0.8413000    
 H    4.129600      -2.923600     -0.1997000    
 H   -3.607300      0.1721000       1.408300    
 H   -3.170200       1.439400      0.2474000    
 H   -4.471600      -1.248500     -0.4613000    
 H   -4.014100     -1.2500000E-02  -1.628600    
 H   -6.059500      0.3595000      0.6240000    
 H   -5.597000       1.603000     -0.5547000    
 H   -6.424400      0.1322000      -1.095000    


%chk=000044429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044429

0 1
O -1.629094 -1.135539 -0.623122
N 2.610209 0.172560 -0.135820
N -1.058498 0.640664 0.760866
C 1.260023 0.778782 -0.210720
C 0.343381 0.211653 0.903971
C 3.706090 1.096993 -0.526875
C 2.679604 -1.145225 -0.829456
C 4.007906 2.159126 0.547760
C 3.739794 -2.085326 -0.224974
C -3.370631 0.525985 -0.114696
C -1.959682 -0.065367 -0.021771
C -4.462848 -0.552346 0.088480
C -5.881956 -0.007170 -0.172420
H 0.769807 0.599361 -1.196712
H 1.345975 1.874224 -0.086470
H 0.728037 0.519696 1.891966
H 0.355061 -0.890779 0.858000
H 4.615824 0.488696 -0.682005
H 3.491697 1.598149 -1.505365
H 1.686927 -1.624883 -0.747950
H 2.870069 -1.012513 -1.924204
H -1.365309 1.502126 1.214305
H 3.134883 2.809411 0.741130
H 4.283481 1.668468 1.497502
H 4.843445 2.809473 0.227168
H 4.757682 -1.659463 -0.294180
H 3.520832 -2.268692 0.841407
H 3.744954 -3.054464 -0.758249
H -3.508658 1.354824 0.608176
H -3.486087 0.958730 -1.128999
H -4.395201 -0.952544 1.119112
H -4.240174 -1.395136 -0.590920
H -6.125960 0.831289 0.507638
H -5.979988 0.362708 -1.210768
H -6.643396 -0.794072 -0.022304


