%chk=000118405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118405

0 1
 O   0.1596000      -1.101800       1.540700    
 O    5.936600      0.1485000     -0.6434000    
 O    9.169000       1.271200      6.6100001E-02
 O    8.236300      0.5799000      -1.802000    
 N   -2.048500      -1.440000     -6.1500002E-02
 N   -4.593300     -0.1479000     -0.1780000    
 N    1.521900      -1.100600     -0.3342000    
 N    2.587800     -0.6309000      0.3539000    
 N    8.162900      0.8314000     -0.5636000    
 C   -2.138500      2.5300000E-02 -4.1800000E-02
 C   -3.126900      -1.995500     -0.8880000    
 C   -3.478300      0.4852000      0.5375000    
 C   -4.500100      -1.602300     -0.3379000    
 C  -0.7437000      -1.866800     -0.5656000    
 C   -5.850100      0.4638000     -0.1102000    
 C   0.3330000      -1.310600      0.3418000    
 C   -6.043000       1.778800     -0.5785000    
 C   -6.960900     -0.2167000      0.4275000    
 C   -7.295800       2.388600     -0.5122000    
 C   -8.213700      0.3932000      0.4938000    
 C   -8.381200       1.695700      2.4000000E-02
 C    3.651400     -0.4730000     -0.3666000    
 C    4.895200      2.2700001E-02  0.1985000    
 C    5.200800      0.3929000       1.466200    
 C    6.960600      0.6208000      0.1143000    
 C    6.559000      0.7879000       1.419200    
 H   -2.027800      0.4281000      -1.058400    
 H   -1.361600      0.4948000      0.5690000    
 H   -3.063500      -3.090400     -0.9012000    
 H   -3.036000      -1.650800      -1.927200    
 H   -3.539000      0.2263000       1.602600    
 H   -3.523400       1.578100      0.4672000    
 H   -5.263600      -1.964700      -1.037500    
 H   -4.664800      -2.094900      0.6289000    
 H  -0.5837000      -1.535800      -1.599200    
 H  -0.6560000      -2.959300     -0.5363000    
 H   -5.214400       2.334200      -1.012400    
 H   -6.866100      -1.228000      0.8147000    
 H   -7.426900       3.401900     -0.8804000    
 H   -9.058500     -0.1449000      0.9138000    
 H   -9.356600       2.170500      7.5599998E-02
 H    1.634700      -1.293200      -1.324900    
 H    3.665800     -0.7071000      -1.447500    
 H    4.550100      0.3885000       2.329000    
 H    7.164100       1.149100       2.239000    


%chk=000118405-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000118405

0 1
O 0.300960 -0.144735 1.358038
O 6.372399 -0.332870 -0.626441
O 9.703661 0.512095 0.389300
O 8.921688 -0.444874 -1.554777
N -2.041402 -0.941427 -0.132006
N -4.796102 -0.068633 -0.138949
N 1.682383 -0.801080 -0.425536
N 2.838800 -0.392413 0.186035
N 8.754060 0.060094 -0.375796
C -2.372361 0.501850 -0.221363
C -3.099795 -1.762905 -0.763463
C -3.725753 0.767365 0.455139
C -4.466741 -1.504539 -0.102548
C -0.706591 -1.281159 -0.617861
C -6.151192 0.346633 -0.056418
C 0.428217 -0.672657 0.234257
C -6.504192 1.720602 -0.231431
C -7.211354 -0.585887 0.158398
C -7.849941 2.133426 -0.196397
C -8.557359 -0.161071 0.179455
C -8.894148 1.199197 0.005270
C 3.972317 -0.550340 -0.474687
C 5.205513 -0.129088 0.142625
C 5.545706 0.458342 1.371997
C 7.427623 0.141865 0.159002
C 6.964150 0.630397 1.380263
H -2.419729 0.839568 -1.288149
H -1.593368 1.077924 0.305073
H -2.843755 -2.832809 -0.644122
H -3.188986 -1.545485 -1.858874
H -3.623781 0.545269 1.541162
H -3.977008 1.833366 0.350742
H -5.228427 -2.068401 -0.667605
H -4.445348 -1.893106 0.942114
H -0.537384 -0.985045 -1.691917
H -0.592600 -2.384079 -0.578772
H -5.728299 2.468050 -0.426529
H -6.993765 -1.642995 0.336860
H -8.085230 3.194371 -0.341717
H -9.346541 -0.903059 0.349468
H -9.939120 1.525082 0.027765
H 1.699788 -1.209623 -1.374908
H 4.054543 -0.990044 -1.486033
H 4.836291 0.721590 2.152723
H 7.585072 1.053437 2.165413


