%chk=000100054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100054

0 1
 O    3.862700      -1.105100      -1.293400    
 O    1.591800       2.465900      0.4391000    
 O   -2.880500       2.142000     -0.4608000    
 N  -0.6274000       2.247700     -2.4499999E-02
 N   -2.995900      -1.977300     -6.6600002E-02
 C   0.7644000      0.1969000      0.2187000    
 C    1.653300     -0.1555000      -1.008000    
 C    1.610000     -0.2365000       1.456200    
 C    3.064900     -0.2982000     -0.4492000    
 C    2.838900     -0.9512000      0.9016000    
 C  -0.5570000     -0.5503000      0.1353000    
 C   0.6254000       1.724500      0.2409000    
 C   -1.765100      0.1106000     -8.3899997E-02
 C  -0.6020000      -1.949900      0.2438000    
 C   -1.821600       1.572800     -0.2135000    
 C   -2.940400     -0.6330000     -0.1758000    
 C   -1.821400      -2.603300      0.1402000    
 H    1.624300      0.6091000      -1.794100    
 H    1.353400      -1.092800      -1.494200    
 H    1.069200     -0.8839000       2.155500    
 H    1.940300      0.6274000       2.046100    
 H    3.541500      0.6825000     -0.3401000    
 H    3.709200     -0.8489000       1.557700    
 H    2.651500      -2.025700      0.7880000    
 H  -0.6829000       3.261800     -6.3900001E-02
 H   0.2986000      -2.534900      0.3996000    
 H    4.716200      -1.238900     -0.8471000    
 H   -3.904900     -0.1632000     -0.3427000    
 H   -1.879900      -3.683700      0.2210000    


%chk=000100054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100054

0 1
O 3.913463 -1.104490 -1.351596
O 1.625568 2.450829 0.431216
O -2.908058 2.259712 -0.442392
N -0.621032 2.260086 -0.048046
N -3.073488 -1.977263 -0.081911
C 0.760064 0.163338 0.230961
C 1.688485 -0.211669 -0.995946
C 1.612627 -0.277239 1.503479
C 3.115117 -0.293001 -0.422981
C 2.904061 -0.941361 0.965211
C -0.576990 -0.562580 0.136730
C 0.632978 1.696522 0.232421
C -1.802784 0.117696 -0.088948
C -0.642737 -1.974683 0.248553
C -1.859203 1.596532 -0.217775
C -3.011018 -0.624179 -0.190646
C -1.885766 -2.628447 0.137011
H 1.601870 0.503580 -1.830229
H 1.419063 -1.212836 -1.378496
H 1.029552 -0.948719 2.155333
H 1.864677 0.624742 2.085455
H 3.543389 0.722901 -0.311284
H 3.760117 -0.794583 1.647299
H 2.767629 -2.029976 0.815047
H -0.651896 3.286577 -0.095827
H 0.263997 -2.564439 0.418812
H 4.872008 -1.017681 -1.121864
H -3.951685 -0.091813 -0.365286
H -1.953407 -3.718655 0.221602


