%chk=000054708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054708

0 1
 O   0.3853000     -0.1997000       1.210300    
 O   -1.590700      0.8841000      0.4423000    
 O    2.570100      0.8639000      -1.920600    
 N   -3.924200      -1.578700     -0.3072000    
 N   -3.651700     -0.2626000      0.1137000    
 N  -0.3497000      -1.539200     -0.5454000    
 N    2.893000     -0.2171000      0.1059000    
 C    2.028300      -1.338100     -0.1597000    
 C    2.469300      -2.595700      0.5952000    
 C    3.864600      -3.070000      0.1761000    
 C   -1.678300      -1.348900     -0.3883000    
 C   -2.705300      -2.168300     -0.6454000    
 C   0.6153000     -0.9362000      0.2528000    
 C    4.253500      -4.357800      0.9030000    
 C   -2.262100     -8.9699998E-02  0.1429000    
 C   -4.631200      0.7606000      0.1563000    
 C   -2.640500      -3.562300      -1.172000    
 C   -4.949700      -2.336100      0.4037000    
 C    5.620500      -4.855700      0.4615000    
 C    3.094300      0.8055000     -0.8113000    
 C   -4.365900       1.952400      0.8310000    
 C   -5.860600      0.5764000     -0.4768000    
 C    4.036800       1.876400     -0.3966000    
 C   -5.329800       2.959700      0.8727000    
 C   -6.824300       1.583900     -0.4350000    
 C   -6.558900       2.775600      0.2397000    
 C    4.735300       2.602700      -1.361400    
 C    4.222900       2.156300      0.9572000    
 C    5.620000       3.608300     -0.9723000    
 C    5.107700       3.162000       1.346200    
 C    5.806200       3.888000      0.3815000    
 H    2.041900      -1.533800      -1.239400    
 H    2.460600      -2.404700       1.676500    
 H    1.743400      -3.399400      0.4176000    
 H    4.608900      -2.294700      0.3923000    
 H    3.881000      -3.241500     -0.9072000    
 H    3.508200      -5.137100      0.7058000    
 H    4.264100      -4.185200       1.985500    
 H  -5.9300002E-02  -2.316900      -1.132100    
 H    3.371800     -0.2097000      0.9999000    
 H   -3.270200      -3.660100      -2.062300    
 H   -1.624400      -3.852600      -1.455100    
 H   -2.990500      -4.277100     -0.4203000    
 H   -5.363900      -3.111500     -0.2494000    
 H   -4.519600      -2.823300       1.286600    
 H   -5.784000      -1.723900      0.7542000    
 H    5.632200      -5.069800     -0.6120000    
 H    5.878800      -5.776200      0.9943000    
 H    6.395600      -4.112100      0.6724000    
 H   -3.434100       2.122600       1.360100    
 H   -6.092100     -0.3194000      -1.045300    
 H   -5.126100       3.885300       1.403300    
 H   -7.778300       1.444600     -0.9351000    
 H   -7.309100       3.560200      0.2717000    
 H    4.607300       2.397000      -2.420800    
 H    3.675400       1.640000       1.739800    
 H    6.164500       4.173300      -1.723200    
 H    5.247200       3.385700       2.399900    
 H    6.493800       4.672200      0.6843000    


%chk=000054708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054708

0 1
O 0.102516 -3.790074 -0.502320
O -1.143414 1.056759 0.565468
O 3.382916 -0.507489 -2.336837
N -3.849773 -1.183737 -0.026628
N -3.346438 0.084525 0.412462
N -0.198301 -1.466269 -0.326130
N 2.430307 -0.933193 -0.247642
C 2.092927 -2.335378 -0.550371
C 2.872856 -3.340664 0.335340
C 4.386494 -3.361700 0.036310
C -1.573034 -1.271420 -0.112604
C -2.730575 -2.017651 -0.299062
C 0.563982 -2.608119 -0.456679
C 5.160006 -4.330223 0.959517
C -1.929155 0.077331 0.340455
C -4.186518 1.240872 0.438856
C -2.957221 -3.444086 -0.706210
C -5.013200 -1.713299 0.725857
C 6.668903 -4.385647 0.637736
C 3.056212 -0.096543 -1.181533
C -3.852005 2.310500 1.306754
C -5.321241 1.331005 -0.407632
C 3.297953 1.314338 -0.719364
C -4.663905 3.463941 1.326513
C -6.133752 2.483642 -0.361863
C -5.811360 3.554050 0.504106
C 4.429054 1.999350 -1.232571
C 2.404257 1.987161 0.156996
C 4.689402 3.329462 -0.844366
C 2.664064 3.323948 0.533679
C 3.809682 3.993200 0.044764
H 2.387491 -2.487504 -1.608331
H 2.699408 -3.099070 1.405910
H 2.431408 -4.339295 0.163734
H 4.809063 -2.341292 0.138738
H 4.544178 -3.655170 -1.021519
H 4.723629 -5.345995 0.870302
H 5.016801 -4.022638 2.015938
H 0.335781 -0.584274 -0.293862
H 2.424470 -0.638106 0.732826
H -3.568029 -3.500519 -1.626644
H -1.983418 -3.926353 -0.879572
H -3.480023 -4.018897 0.082124
H -5.401275 -2.590803 0.186921
H -4.738279 -2.004349 1.758927
H -5.805039 -0.950492 0.765275
H 6.839292 -4.725582 -0.401077
H 7.201846 -5.080260 1.312793
H 7.134423 -3.387398 0.742683
H -2.959695 2.237412 1.932867
H -5.537484 0.522820 -1.113995
H -4.400432 4.292800 1.992405
H -7.009043 2.551374 -1.017233
H -6.440903 4.449748 0.531515
H 5.082327 1.475179 -1.937976
H 1.477277 1.509822 0.499423
H 5.569522 3.850973 -1.236206
H 1.960997 3.845321 1.192078
H 4.007368 5.029554 0.340957


