%chk=000033933.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033933

0 1
 O   -2.612200       4.194600     -0.4963000    
 N    3.666900     -0.5378000      0.3670000    
 N  -4.5000002E-02 -0.6564000      0.3989000    
 N   -1.859800      -2.331700     -0.9121000    
 C    4.655700      1.3000000E-02   1.304400    
 C    3.844300      2.0500001E-02 -0.9809000    
 C    6.082300     -0.2835000      0.8393000    
 C    5.244400     -0.2756000      -1.520800    
 C    6.323800      0.2357000     -0.5735000    
 C    2.309100     -0.2872000      0.8496000    
 C    1.287900     -0.9058000     -9.6000001E-02
 C  -0.7274000      -1.719200       1.139000    
 C  -0.6918000      0.5668000      0.1731000    
 C   -1.975100      -2.146900      0.4171000    
 C  -0.4027000       1.317800     -0.9714000    
 C   -1.632700       1.046800       1.090300    
 C   -1.046800       2.534500      -1.195800    
 C   -2.276900       2.263600      0.8657000    
 C   -3.138100      -2.321300       1.139900    
 C   -1.983900       3.007300     -0.2773000    
 C   -4.274100      -2.717200      0.4428000    
 C   -2.984800      -2.716100      -1.555800    
 C   -4.204400      -2.920600     -0.9309000    
 C   -3.558800       4.618800      0.4834000    
 H    4.524700       1.097300       1.418600    
 H    4.519700     -0.4377000       2.295100    
 H    3.664000       1.103500     -0.9875000    
 H    3.176000     -0.4340000      -1.715000    
 H    6.259900      -1.366100      0.8663000    
 H    6.799600      0.1752000       1.529300    
 H    5.368600      0.1894000      -2.505500    
 H    5.364500      -1.357600      -1.660600    
 H    7.312800     -7.7200003E-02 -0.9256000    
 H    6.315300       1.332500     -0.5669000    
 H    2.127800      0.7905000      0.9580000    
 H    2.184000     -0.7315000       1.845700    
 H    1.361800     -0.5813000      -1.131300    
 H    1.471800      -1.988200     -0.1458000    
 H  -8.5900001E-02  -2.605000       1.232500    
 H  -0.9284000      -1.404700       2.169700    
 H   0.2991000      0.9905000      -1.730400    
 H   -1.875600      0.5142000       2.004500    
 H  -0.8185000       3.107900      -2.090200    
 H   -2.989900       2.574400       1.621700    
 H   -3.182500      -2.160900       2.211400    
 H   -5.212100      -2.866900      0.9690000    
 H   -2.877600      -2.860800      -2.625700    
 H   -5.077200      -3.229100      -1.494700    
 H   -3.961700       5.580200      0.1485000    
 H   -4.403700       3.925200      0.5535000    
 H   -3.082600       4.792500       1.454400    


%chk=000033933-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033933

0 1
O -2.646042 4.785400 -0.351623
N 3.603664 -0.516128 0.114396
N -0.183155 -0.258644 0.602736
N -1.360551 -2.820647 -0.423386
C 4.731071 -0.679584 1.069287
C 3.955350 0.437630 -0.970195
C 5.995740 -1.195454 0.351615
C 5.196617 -0.038011 -1.752357
C 6.395833 -0.245381 -0.799863
C 2.329881 -0.166504 0.786821
C 1.095693 -0.597303 -0.050098
C -0.806480 -1.296689 1.431527
C -0.826523 0.974655 0.374838
C -1.820747 -2.186560 0.701217
C -0.159842 2.044038 -0.306816
C -2.158826 1.223735 0.817179
C -0.793077 3.277107 -0.530066
C -2.792982 2.468853 0.603312
C -3.144217 -2.361845 1.174713
C -2.113657 3.505302 -0.075502
C -4.026202 -3.209129 0.466014
C -2.221313 -3.631058 -1.100757
C -3.559139 -3.856914 -0.699130
C -4.011190 5.041525 0.098189
H 4.973716 0.290683 1.581083
H 4.419692 -1.396147 1.852455
H 4.156833 1.459871 -0.548474
H 3.095669 0.531277 -1.658314
H 5.784614 -2.202581 -0.057186
H 6.820402 -1.294067 1.083866
H 5.442940 0.703722 -2.536526
H 4.954245 -0.993657 -2.255912
H 7.266016 -0.648409 -1.351812
H 6.704552 0.733991 -0.377988
H 2.263333 0.924720 1.025167
H 2.291984 -0.703195 1.754645
H 1.124416 -0.142402 -1.056751
H 1.131869 -1.687134 -0.210747
H 0.000661 -1.952510 1.809851
H -1.288753 -0.840794 2.317728
H 0.869562 1.921221 -0.654879
H -2.733302 0.437165 1.313269
H -0.270833 4.085907 -1.051294
H -3.818927 2.603733 0.960712
H -3.474161 -1.845005 2.083196
H -5.054982 -3.356224 0.812165
H -1.815059 -4.117969 -1.995204
H -4.206701 -4.519248 -1.282185
H -4.229919 6.075680 -0.208066
H -4.733903 4.351347 -0.382193
H -4.100070 4.954034 1.200042


