%chk=000013931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013931

0 1
 O    2.652500      0.3495000     -0.5416000    
 O   -1.031100      -2.474900     -0.4570000    
 O   -1.637400       2.126800     -0.5433000    
 N   0.8250000      -1.087600     -0.5440000    
 N   0.5212000       1.262600     -0.5551000    
 N   -1.362000     -0.1756000     -0.5459000    
 C    1.428600      0.1836000     -0.5491000    
 C  -0.5628000      -1.333500     -0.5140000    
 C  -0.8816000       1.150100     -0.5502000    
 C    1.710100      -2.248900     -0.5720000    
 C    1.107000       2.600700     -0.5597000    
 C   -2.810200     -0.3626000     -0.5775000    
 C    2.037800      -2.646300      0.8288000    
 C    1.300200       3.053200      0.8494000    
 C   -3.326500     -0.4087000      0.8222000    
 C    3.282500      -2.704200       1.315600    
 C   0.7483000       4.160100       1.359400    
 C   -4.001700      -1.444100       1.334100    
 H    1.217000      -3.086000      -1.078300    
 H    2.613600      -2.011700      -1.145400    
 H    2.073500       2.594500      -1.075300    
 H   0.4513000       3.283400      -1.112500    
 H   -3.286300      0.4677000      -1.110400    
 H   -3.052300      -1.279900      -1.126600    
 H    1.214900      -2.922500       1.483500    
 H    1.944000       2.455700       1.490300    
 H   -3.158400      0.4602000       1.453800    
 H    3.457300      -3.009700       2.341400    
 H    4.142600      -2.449000      0.7066000    
 H   0.9345000       4.441800       2.390000    
 H   0.1054000       4.799600      0.7648000    
 H   -4.359900      -1.414200       2.357300    
 H   -4.206900      -2.333300      0.7484000    


%chk=000013931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013931

0 1
O 2.672272 0.400627 -0.624770
O -0.989636 -2.519473 -0.621544
O -1.687761 2.111810 -0.610741
N 0.854428 -1.080923 -0.634151
N 0.504721 1.278945 -0.630796
N -1.363994 -0.204146 -0.632662
C 1.427990 0.210011 -0.626267
C -0.532883 -1.346543 -0.625177
C -0.900064 1.129956 -0.620002
C 1.780948 -2.255943 -0.591288
C 1.061192 2.668016 -0.585974
C -2.845269 -0.417279 -0.593360
C 1.999274 -2.753945 0.825273
C 1.413023 3.091322 0.827887
C -3.392294 -0.337983 0.819647
C 3.197305 -2.710777 1.456996
C 0.796328 4.104988 1.482320
C -3.968852 -1.383993 1.459720
H 1.318440 -3.042766 -1.211380
H 2.729678 -1.928858 -1.043664
H 1.961575 2.666775 -1.224019
H 0.295559 3.330987 -1.017121
H -3.292563 0.369044 -1.225334
H -3.035459 -1.407878 -1.033960
H 1.117976 -3.180835 1.323209
H 2.229706 2.531753 1.303994
H -3.314191 0.643097 1.307741
H 3.321960 -3.098832 2.474257
H 4.084317 -2.281618 0.975452
H 1.093071 4.394628 2.496718
H -0.024537 4.669674 1.023721
H -4.371793 -1.281659 2.473686
H -4.050267 -2.371382 0.989289


