%chk=000042154.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042154

0 1
 O    1.274600     -0.1617000     -0.9632000    
 N    6.541800      0.3311000      0.7515000    
 C   -1.029600     -0.2089000     -0.3122000    
 C   -2.075400     -0.8098000      0.6350000    
 C   0.3618000     -0.7734000     -6.2199999E-02
 C   -3.448000     -0.2947000      0.3607000    
 C   -3.905500      0.8515000       1.010900    
 C   -4.274400     -0.9590000     -0.5455000    
 C    2.572800     -3.9600000E-02 -0.5404000    
 C   -5.189100       1.333300      0.7546000    
 C   -5.558000     -0.4771000     -0.8018000    
 C   -6.015500      0.6691000     -0.1517000    
 C    3.099600     -0.9766000      0.3408000    
 C    3.348600       1.019300     -0.9974000    
 C    5.205900      0.2067000      0.3170000    
 C    4.420700     -0.8531000      0.7710000    
 C    4.669700       1.142900     -0.5671000    
 H   -1.003500      0.8836000     -0.2063000    
 H   -1.309700     -0.3932000      -1.357700    
 H   -2.069000      -1.904200      0.5485000    
 H   -1.800200     -0.5963000       1.676000    
 H   0.6226000     -0.5651000      0.9837000    
 H   0.3626000      -1.856700     -0.2296000    
 H   -3.270800       1.379300       1.717800    
 H   -3.929200      -1.852100      -1.060000    
 H   -5.545100       2.226200       1.260300    
 H   -6.201300     -0.9940000      -1.507900    
 H    2.531800      -1.831300      0.6953000    
 H    2.934800       1.750600      -1.685900    
 H   -7.014900       1.044500     -0.3515000    
 H    4.829200      -1.592400       1.455100    
 H    5.271300       1.973100     -0.9281000    
 H    7.111800       1.098800      0.4221000    
 H    6.931200     -0.3479000       1.391900    


%chk=000042154-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042154

0 1
O 1.246023 0.498698 -0.349681
N 6.853423 -0.138780 0.176882
C -1.100378 0.066751 0.004002
C -2.179097 -0.777582 0.737687
C 0.317165 -0.370980 0.382014
C -3.591889 -0.365107 0.348872
C -4.270684 0.660772 1.055893
C -4.245882 -0.968264 -0.756377
C 2.628838 0.272821 -0.161478
C -5.565068 1.075853 0.669052
C -5.540244 -0.557469 -1.147676
C -6.205035 0.467897 -0.435913
C 3.180595 -0.733609 0.666668
C 3.494568 1.138592 -0.872402
C 5.461909 -0.006497 0.068295
C 4.583091 -0.868991 0.777201
C 4.889214 1.003376 -0.760898
H -1.228372 1.136987 0.251044
H -1.229621 -0.027011 -1.090263
H -2.019789 -1.848456 0.501114
H -2.040087 -0.666093 1.831441
H 0.485312 -0.267736 1.476379
H 0.490215 -1.432704 0.100692
H -3.782585 1.134565 1.917176
H -3.738160 -1.767211 -1.311714
H -6.074668 1.868071 1.229561
H -6.030496 -1.037486 -2.002483
H 2.539316 -1.418069 1.230423
H 3.054411 1.912824 -1.508916
H -7.209759 0.786345 -0.735816
H 4.996456 -1.654077 1.422527
H 5.543848 1.683785 -1.319492
H 7.475276 0.479404 -0.334119
H 7.263751 -0.857719 0.764002


