%chk=000127767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127767

0 1
 O    2.592200     -0.1166000      0.9495000    
 O    2.499300      -1.030100      -2.524300    
 O   -2.332400       1.185700       2.341800    
 O    2.550100       2.177100     -0.8036000    
 O    4.610100       1.021400      0.6031000    
 O   -2.516100       2.273800      -1.155300    
 O   -4.802600      0.4032000      0.9085000    
 O    2.655100      -2.816000       1.514600    
 O   -4.964900      -2.222900     -0.1048000    
 N   1.5699999E-02  0.7080000     -0.4299000    
 C   0.8905000     -0.4078000     -0.8151000    
 C    1.918700      8.6499996E-02  -1.851000    
 C  -0.9905000      0.2651000      0.5413000    
 C    1.554200     -0.9742000      0.4593000    
 C   -1.840700       1.458200       1.027400    
 C    3.045900      0.9027000      -1.213200    
 C   -3.010900       1.784700      8.9500003E-02
 C    3.621100      0.1827000      8.2000000E-03
 C   -3.900900      0.5612000     -0.1871000    
 C   -1.823800     -0.8335000     -6.8000004E-02
 C   -3.128600     -0.7257000     -0.3762000    
 C    2.061000      -2.408600      0.2963000    
 C   -3.888700      -1.884400     -0.9579000    
 C    5.186000      0.4096000       1.747000    
 H   0.3131000      -1.194600      -1.311300    
 H    1.413500      0.6879000      -2.617500    
 H  -0.5669000     -0.1084000       1.472000    
 H   0.8923000      -1.085600       1.311800    
 H   0.5753000       1.455200     -1.9099999E-02
 H   -1.195800       2.341400       1.124200    
 H    3.853100       1.086000      -1.932100    
 H   -3.612500       2.583700      0.5405000    
 H    4.117400     -0.7418000     -0.3091000    
 H   -4.501400      0.7423000      -1.087200    
 H   -1.354000      -1.806200     -0.1956000    
 H    2.813200      -2.515200     -0.4882000    
 H    1.235100      -3.089900      6.8099998E-02
 H    1.781200      -1.512500      -2.968000    
 H   -3.263700      -2.773300      -1.094400    
 H   -4.295200      -1.614700      -1.938000    
 H   -2.840600       1.962400       2.631700    
 H    2.204500       2.624300      -1.594900    
 H   -3.281400       2.539700      -1.692900    
 H   -5.360200       1.198900      0.9473000    
 H    3.387300      -2.205400       1.705300    
 H    4.453700      0.3189000       2.554700    
 H    6.001000       1.047700       2.099800    
 H    5.600800     -0.5725000       1.498800    
 H   -4.591600      -2.491600      0.7523000    


%chk=000127767-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127767

0 1
O 2.388019 0.115018 0.872111
O 3.233665 -2.129089 -1.833882
O -1.975399 -0.268935 2.392950
O 1.744028 1.213226 -1.890371
O 3.685274 1.802693 -0.109738
O -1.299273 2.022700 -0.449449
O -4.383303 0.707723 1.340737
O 3.288895 -1.972964 2.606543
O -5.997789 0.197011 -0.976877
N -0.112701 -0.749420 -0.859874
C 1.128078 -1.498158 -0.602881
C 2.112221 -1.174657 -1.765611
C -1.248080 -0.888780 0.071197
C 1.782693 -1.249473 0.791987
C -1.344337 0.229599 1.162764
C 2.772364 0.208966 -1.611988
C -2.107710 1.469487 0.648649
C 3.361521 0.404379 -0.200219
C -3.524419 1.093205 0.149870
C -2.523477 -1.010510 -0.750087
C -3.541638 -0.108847 -0.764665
C 2.813392 -2.298355 1.253963
C -4.766568 -0.253442 -1.650964
C 4.307321 2.206906 1.161496
H 0.897224 -2.587006 -0.648591
H 1.529031 -1.173738 -2.707227
H -1.117697 -1.835061 0.636014
H 0.995668 -1.205515 1.565667
H 0.043114 0.213249 -1.194655
H -0.326045 0.537308 1.450667
H 3.601668 0.290751 -2.342026
H -2.196089 2.204751 1.478846
H 4.264111 -0.229682 -0.061644
H -4.010479 1.960945 -0.344159
H -2.560385 -1.878947 -1.421567
H 3.658203 -2.380399 0.544234
H 2.327890 -3.286723 1.340049
H 2.894556 -3.003686 -2.147520
H -4.865966 -1.304563 -1.992685
H -4.691984 0.390006 -2.549077
H -2.965350 -0.259695 2.253201
H 1.992889 2.033360 -1.385801
H -1.762769 2.797174 -0.857659
H -4.638340 1.527448 1.840321
H 3.412962 -0.986941 2.632203
H 3.590588 2.107257 1.994373
H 4.596725 3.260075 1.028449
H 5.209567 1.595066 1.363871
H -5.893868 0.023084 -0.002644


