%chk=000042776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042776

0 1
 O  -3.1399999E-02  -1.532400      0.2665000    
 O   -1.542600      -2.932700     -0.7655000    
 N   -3.650100      -1.695200      0.4070000    
 C    3.712700      0.6305000      0.1082000    
 C    2.438700     -0.1351000     -0.3387000    
 C    2.358200      -1.602500      9.1700003E-02
 C    3.583900       2.092700     -0.3626000    
 C    3.858100      0.6229000       1.639000    
 C    4.976800      2.4800001E-02 -0.5240000    
 C    1.042000      -2.236200     -0.3437000    
 C   -2.327300      -1.124400      0.6753000    
 C   -1.292500      -1.986400     -2.9600000E-02
 C   -2.254400      0.3265000      0.2495000    
 C   -2.617700       1.313200       1.149400    
 C   -1.825600      0.6341000      -1.029800    
 C   -2.550300       2.650100      0.7573000    
 C   -1.758100       1.971200      -1.421700    
 C   -2.120600       2.979000     -0.5281000    
 H    2.356600     -8.6700000E-02  -1.433100    
 H    1.564100      0.4008000      5.3700000E-02
 H    3.187200      -2.174800     -0.3364000    
 H    2.427500      -1.670900       1.182400    
 H    4.463100       2.681600     -7.7799998E-02
 H    3.484900       2.149900      -1.452500    
 H    2.704300       2.575100      7.8800000E-02
 H    2.946600      0.9889000       2.124300    
 H    4.685600       1.267200       1.958300    
 H    4.067500     -0.3804000       2.023800    
 H    4.891600     -1.6000001E-02  -1.615600    
 H    5.863400      0.6219000     -0.2818000    
 H    5.162700     -0.9919000     -0.1629000    
 H    1.020000      -3.284800     -2.5400000E-02
 H   0.9430000      -2.191100      -1.434600    
 H   -2.129800      -1.211300       1.751100    
 H   -2.954500       1.066400       2.151900    
 H   -1.555600     -0.1269000      -1.755300    
 H   -3.678600      -2.662500      0.7273000    
 H   -3.821900      -1.720700     -0.5977000    
 H   -2.832900       3.434900       1.452900    
 H   -1.427400       2.227600      -2.423900    
 H   -2.069000       4.019900     -0.8337000    


%chk=000042776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042776

0 1
O 0.103938 -1.445181 0.201214
O -1.498557 -2.433051 -1.174642
N -3.462086 -1.700832 0.916006
C 4.096365 0.488770 0.331380
C 2.748597 -0.076965 -0.217684
C 2.525768 -1.596611 -0.046829
C 4.117750 2.016504 0.053156
C 4.209344 0.257358 1.862664
C 5.306111 -0.170365 -0.384239
C 1.190536 -2.069748 -0.621974
C -2.215329 -0.948425 0.699854
C -1.202594 -1.693408 -0.205186
C -2.526630 0.430192 0.103237
C -2.565698 1.571173 0.940589
C -2.827730 0.574780 -1.275316
C -2.900725 2.837980 0.413413
C -3.168007 1.840920 -1.802692
C -3.204483 2.976289 -0.961051
H 2.683749 0.169369 -1.299291
H 1.912703 0.456842 0.276214
H 3.324401 -2.162830 -0.566226
H 2.570770 -1.880371 1.021277
H 5.056795 2.472279 0.420282
H 4.039565 2.224894 -1.030985
H 3.273191 2.523675 0.557135
H 3.332564 0.676396 2.392003
H 5.115718 0.749763 2.263022
H 4.277793 -0.817248 2.113253
H 5.240576 -0.035296 -1.481015
H 6.254799 0.285493 -0.043216
H 5.365681 -1.254661 -0.175581
H 1.070563 -3.167143 -0.565006
H 1.048700 -1.756627 -1.673237
H -1.722173 -0.800221 1.676355
H -2.342896 1.463390 2.008691
H -2.789715 -0.299692 -1.936227
H -3.325797 -2.600738 1.389966
H -4.021873 -1.803878 0.062485
H -2.927370 3.713363 1.072084
H -3.400743 1.941692 -2.868848
H -3.465370 3.958475 -1.371036


