%chk=000081128.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081128

0 1
 O   0.3936000       2.204000      -1.468500    
 O  -0.4506000       2.243400       1.419900    
 N    1.689600     -0.2406000      0.7333000    
 N   -1.672200     -0.2641000     -0.7186000    
 C    1.698400      0.5476000     -0.3650000    
 C   -1.721400      0.5356000      0.3556000    
 C   0.5541000       1.429700     -0.5163000    
 C  -0.5640000       1.447500      0.4990000    
 C    2.749200      -1.065700      0.8886000    
 C   -2.723700      -1.101400     -0.8640000    
 C    2.711500      0.5497000      -1.310200    
 C   -2.723600      0.5717000       1.291500    
 C    3.811700      -1.139100      2.2000000E-03
 C   -3.795600      -1.159800      1.2000000E-02
 C    3.784800     -0.3126000      -1.115700    
 C   -3.788000     -0.3039000       1.107800    
 C    2.745800      -1.937300       2.100300    
 C   -2.699700      -2.004600      -2.052000    
 H    2.688800       1.195700      -2.181400    
 H   -2.712200       1.241300       2.143700    
 H    4.643700      -1.815800      0.1649000    
 H   -4.620500      -1.847200     -0.1421000    
 H    4.598900     -0.3405000      -1.833700    
 H   -4.610000     -0.3193000       1.817200    
 H    3.615900      -1.720000       2.728000    
 H    1.845700      -1.771200       2.701400    
 H    2.767800      -2.992600       1.810200    
 H   -3.564100      -1.811000      -2.694900    
 H   -1.794100      -1.847300      -2.647000    
 H   -2.716900      -3.052000      -1.734300    


%chk=000081128-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081128

0 1
O 0.425090 2.411438 -1.539910
O -0.438878 2.443400 1.478944
N 1.594048 -0.178126 0.665397
N -1.587726 -0.206366 -0.664207
C 1.647319 0.617288 -0.449491
C -1.647825 0.614638 0.431648
C 0.515554 1.583490 -0.595521
C -0.523870 1.593142 0.553939
C 2.592251 -1.085872 0.867432
C -2.577890 -1.127319 -0.844458
C 2.683249 0.551733 -1.408245
C -2.682850 0.562743 1.392080
C 3.668267 -1.215109 -0.057169
C -3.652711 -1.243937 0.083202
C 3.713479 -0.390660 -1.202235
C -3.704968 -0.393029 1.208480
C 2.511472 -1.945390 2.110873
C -2.489437 -2.015651 -2.066945
H 2.657037 1.224125 -2.270464
H -2.662098 1.255404 2.238227
H 4.454569 -1.954088 0.130392
H -4.432674 -1.993872 -0.086480
H 4.538077 -0.480427 -1.917081
H -4.528806 -0.472922 1.925380
H 3.394317 -1.794186 2.759228
H 1.607444 -1.686112 2.682478
H 2.473549 -3.020285 1.853880
H -3.373204 -1.887622 -2.719018
H -1.587334 -1.762545 -2.644339
H -2.442550 -3.083681 -1.784117


