%chk=000126778.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126778

0 1
 O  -0.1096000     -0.9623000     -0.2183000    
 O   -4.831500       1.747600     -0.9270000    
 O   -7.135800      0.5297000     -0.3678000    
 N    6.271700      0.8777000      0.8337000    
 N    6.459500      8.8799998E-02  -1.280600    
 N    6.811200       1.750400     -2.8999999E-02
 N    6.942100       1.325300      -1.293300    
 C   -2.892200      0.6677000     -4.2599998E-02
 C   -2.070700       1.878900     -0.3506000    
 C   -2.300800     -0.4481000      0.5500000    
 C   -2.048400       2.873200      0.8166000    
 C   -4.253100      0.6556000     -0.3488000    
 C  -0.8463000     -0.4600000      0.8889000    
 C   -5.022300     -0.4723000     -6.2399998E-02
 C   -3.070200      -1.575800      0.8364000    
 C   -4.431000      -1.587900      0.5302000    
 C   -1.184700       4.086200      0.5091000    
 C   -6.445200     -0.5073000     -0.3727000    
 C    1.247100      -1.072700     -5.8699999E-02
 C    3.999500      -1.296600      0.2635000    
 C    2.025200      -1.557200      -1.104000    
 C    1.831400     -0.6989000       1.146100    
 C    5.475800      -1.416600      0.4363000    
 C    3.406000      -1.669600     -0.9423000    
 C    3.212300     -0.8113000       1.307700    
 C   -7.123000      -1.828900     -0.7127000    
 C    6.083000     -0.1156000     -7.6000001E-03
 H   -1.050900       1.607000     -0.6469000    
 H   -2.468400       2.381600      -1.242500    
 H   -3.068700       3.211200       1.036400    
 H   -1.677600       2.395100       1.730300    
 H  -0.5032000      0.5359000       1.185500    
 H  -0.7155000      -1.121900       1.757000    
 H   -2.623700      -2.452600       1.298100    
 H   -5.006300      -2.475600      0.7778000    
 H  -0.1472000       3.790500      0.3239000    
 H   -1.554400       4.617000     -0.3739000    
 H   -1.194300       4.782800       1.353200    
 H    1.566700      -1.848300      -2.044700    
 H    1.286300     -0.3156000       2.001000    
 H   -5.748900       1.561200      -1.180600    
 H    5.876300      -2.243800     -0.1616000    
 H    5.736000      -1.632200       1.479800    
 H    4.007700      -2.048700      -1.764200    
 H    3.662900     -0.5180000       2.252500    
 H   -7.483600      -2.302600      0.2035000    
 H   -6.435300      -2.494300      -1.241600    
 H   -7.968400      -1.634400      -1.379700    
 H    7.103700       2.678300      0.2581000    


%chk=000126778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126778

0 1
O -0.085050 -0.831917 -0.069999
O -4.750804 1.725201 -1.064428
O -6.951465 0.543751 -1.361196
N 6.995427 0.925218 0.345948
N 6.605645 -0.312645 -1.550705
N 7.541402 1.483388 -0.780276
N 7.326851 0.765016 -1.948292
C -2.908947 0.580373 -0.032003
C -2.082470 1.839396 -0.218843
C -2.407601 -0.593422 0.581005
C -2.305594 2.877151 0.919402
C -4.266613 0.577987 -0.478188
C -0.984217 -0.648442 1.093983
C -5.108139 -0.583563 -0.324034
C -3.232195 -1.746659 0.739458
C -4.557237 -1.744338 0.293097
C -1.476394 4.159918 0.700070
C -6.495952 -0.534186 -0.808598
C 1.296028 -0.900297 0.193439
C 4.118933 -1.073266 0.485009
C 2.119917 -1.078004 -0.946980
C 1.878690 -0.805916 1.480265
C 5.636988 -1.195908 0.648504
C 3.514945 -1.162786 -0.799016
C 3.285211 -0.891853 1.610254
C -7.417933 -1.730624 -0.676218
C 6.410707 -0.201463 -0.168434
H -1.009754 1.586778 -0.291467
H -2.371173 2.316314 -1.173143
H -3.381890 3.128309 0.964226
H -2.042330 2.421868 1.895990
H -0.706492 0.285916 1.621660
H -0.856227 -1.500000 1.791344
H -2.811442 -2.643111 1.207470
H -5.176974 -2.637909 0.417559
H -0.393980 3.933975 0.657350
H -1.755148 4.649346 -0.251704
H -1.639527 4.888349 1.515388
H 1.645741 -1.146782 -1.930793
H 1.265765 -0.667440 2.375663
H -5.739284 1.534738 -1.326957
H 5.962704 -2.209684 0.347259
H 5.913963 -1.060355 1.707654
H 4.147061 -1.291780 -1.685045
H 3.731196 -0.814616 2.609242
H -7.546930 -2.019066 0.383010
H -7.010534 -2.607880 -1.211285
H -8.399130 -1.473011 -1.101828
H 8.067455 2.356533 -0.763316


