%chk=000129109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129109

0 1
 O   0.8470000       2.388800      0.8401000    
 O    1.338500     -0.6900000      -2.152700    
 O    4.348400       1.348400       2.061400    
 O    4.224900       1.390800     -0.2144000    
 O   -3.437500       1.561700       1.875200    
 O   -3.489600       3.334600      0.4633000    
 N    1.704300      0.4177000     -5.9999999E-02
 N    2.659800      -1.623500     -0.4474000    
 N   -1.247700       2.341200     -0.7962000    
 C    2.591200      0.1466000       1.064400    
 C    2.966600      -1.318500      0.9324000    
 C  -3.5900000E-02   1.682400      -1.254600    
 C   0.8690000       1.546400     -5.8899999E-02
 C    1.835800     -0.6412000      -1.035000    
 C   -2.135500       1.398800     -0.1264000    
 C   -2.913200      0.5992000      -1.181200    
 C    3.794800       1.021400      0.8682000    
 C   0.6495000       2.495300      -2.335500    
 C   -3.613600     -0.6567000     -0.6394000    
 C    3.008100      -2.894600      -1.043600    
 C   -3.074400       2.216500      0.7429000    
 C   -2.679200      -1.707000     -9.0700001E-02
 C   -2.178100      -2.701800     -0.9303000    
 C   -2.316100      -1.682600       1.255900    
 C   -1.314100      -3.672500     -0.4233000    
 C   -1.452000      -2.653200       1.762800    
 C  -0.9510000      -3.648200      0.9231000    
 H    2.097400      0.3920000       2.010300    
 H    2.328300      -1.949200       1.560500    
 H    4.019100      -1.530300       1.143300    
 H  -0.2912000      0.7136000      -1.674800    
 H   -1.550300      0.7629000      0.5425000    
 H   -1.735100       2.774700      -1.580300    
 H   -2.270400      0.2787000      -2.008700    
 H   -3.682200       1.241600      -1.632200    
 H   9.2000002E-03   2.598800      -3.218500    
 H    1.585400       2.024000      -2.654200    
 H   0.9032000       3.501800      -1.982300    
 H   -4.211100      -1.101500      -1.446400    
 H   -4.342600     -0.3784000      0.1320000    
 H    4.089700      -3.034800     -0.9727000    
 H    2.700600      -2.918700      -2.092100    
 H    2.494100      -3.690300     -0.4979000    
 H    5.138700       1.919700       1.954400    
 H   -2.450800      -2.729300      -1.981800    
 H   -2.708100     -0.9281000       1.929700    
 H   -4.053800       2.092600       2.423300    
 H  -0.9220000      -4.445800      -1.077500    
 H   -1.171100      -2.636000       2.811800    
 H  -0.2770000      -4.403000       1.317500    


%chk=000129109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129109

0 1
O 0.649870 1.899614 0.863530
O 1.358722 -0.760794 -2.491168
O 3.837741 0.779921 2.541847
O 3.944893 1.603485 0.365682
O -4.200298 1.864382 1.210425
O -3.121201 3.752776 0.413620
N 1.560941 0.109892 -0.247373
N 2.704128 -1.754276 -0.820179
N -1.368329 2.284150 -1.113368
C 2.348552 -0.216898 0.956098
C 2.965661 -1.614647 0.618107
C -0.117084 1.608616 -1.470009
C 0.711996 1.232113 -0.211673
C 1.825101 -0.804719 -1.322719
C -2.314984 1.514961 -0.284709
C -3.116705 0.492775 -1.151775
C 3.433564 0.839323 1.204404
C 0.744433 2.525501 -2.370451
C -3.648965 -0.747622 -0.382713
C 3.176058 -2.885390 -1.609954
C -3.216680 2.506894 0.441678
C -2.545808 -1.616787 0.211245
C -1.657088 -2.339418 -0.629683
C -2.379711 -1.728765 1.616612
C -0.643865 -3.158063 -0.083659
C -1.365235 -2.545055 2.169129
C -0.494973 -3.267213 1.319829
H 1.704257 -0.253423 1.847289
H 2.458469 -2.410932 1.196589
H 4.047632 -1.656125 0.838088
H -0.331701 0.685906 -2.035364
H -1.800690 0.944470 0.527829
H -1.225261 3.234693 -0.745689
H -2.433483 0.157000 -1.953740
H -3.952381 1.012056 -1.656092
H 0.148546 2.818915 -3.250968
H 1.649767 1.998795 -2.713455
H 1.048036 3.437887 -1.824856
H -4.243735 -1.348986 -1.098726
H -4.336533 -0.414897 0.413089
H 4.281231 -2.921314 -1.630113
H 2.803160 -2.759488 -2.639575
H 2.797560 -3.845708 -1.206734
H 4.547698 1.457264 2.708216
H -1.763826 -2.269327 -1.719311
H -3.055799 -1.174771 2.279190
H -4.740477 2.558644 1.677478
H 0.015994 -3.721740 -0.754230
H -1.261838 -2.624365 3.257506
H 0.272642 -3.924311 1.746802


