%chk=000043189.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043189

0 1
 I    7.123900     -0.1466000     -0.9210000    
 O  -0.9491000      9.2600003E-02  0.5802000    
 O    1.227700      0.1760000       1.059200    
 O   0.5535000     -0.1928000      -1.144400    
 C   -4.549000     -0.1069000     -0.4768000    
 C   -5.890100      4.4199999E-02  0.2467000    
 C   -3.340300      6.4900003E-02  0.4419000    
 C   -7.099800     -0.1522000     -0.6679000    
 C   -2.031800     -6.1099999E-02 -0.3271000    
 C   -8.403900      7.9300001E-02  8.0600001E-02
 C   0.3034000      4.3000001E-03  3.8100000E-02
 C    2.551000      0.1037000      0.6161000    
 C    3.175300       1.261100      0.2075000    
 C    3.178000      -1.122100      0.6040000    
 C    4.495600       1.188900     -0.2367000    
 C    4.498400      -1.194400      0.1601000    
 C    5.157200     -3.8899999E-02 -0.2603000    
 H   -4.506300      -1.096900     -0.9479000    
 H   -4.496500      0.6313000      -1.286700    
 H   -5.937000       1.042000      0.7009000    
 H   -5.938800     -0.6799000       1.069400    
 H   -3.377900       1.042300      0.9386000    
 H   -3.366700     -0.6816000       1.245300    
 H   -7.042600      0.5432000      -1.513300    
 H   -7.091700      -1.167500      -1.080800    
 H   -1.970500      -1.046500     -0.8037000    
 H   -1.974100      0.7152000      -1.099300    
 H   -9.256400     -6.8400003E-02 -0.5897000    
 H   -8.504600     -0.6189000      0.9177000    
 H   -8.454600       1.099100      0.4750000    
 H    2.660200       2.216400      0.2265000    
 H    2.665300      -2.021000      0.9315000    
 H    4.990000       2.101500     -0.5596000    
 H    4.995200      -2.161200      0.1500000    


%chk=000043189-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043189

0 1
I 7.574327 -0.009500 -0.029140
O -0.953793 0.202477 0.152788
O 1.228715 0.452101 0.381861
O 0.424652 -1.196118 -1.127039
C -4.696366 -0.381708 -0.397590
C -5.955686 0.265621 0.221645
C -3.383255 0.209116 0.168886
C -7.273996 -0.312179 -0.341840
C -2.157954 -0.452394 -0.456655
C -8.528638 0.336278 0.281978
C 0.254495 -0.282688 -0.290767
C 2.631845 0.252350 0.202739
C 3.412847 1.142401 0.971652
C 3.230245 -0.716380 -0.633988
C 4.819544 1.072069 0.909597
C 4.642493 -0.781578 -0.691043
C 5.426331 0.106227 0.074933
H -4.722801 -1.476377 -0.215885
H -4.721573 -0.246595 -1.499031
H -5.931276 1.360997 0.044705
H -5.936806 0.127574 1.322707
H -3.346985 1.298333 -0.022981
H -3.350794 0.072507 1.266540
H -7.292206 -0.172584 -1.442051
H -7.296213 -1.407239 -0.166880
H -2.109448 -1.536263 -0.243878
H -2.114520 -0.306898 -1.551896
H -9.457032 -0.092252 -0.137957
H -8.551125 0.183178 1.377489
H -8.545487 1.426790 0.095944
H 2.912698 1.877731 1.607940
H 2.620712 -1.399430 -1.226534
H 5.425186 1.761236 1.503975
H 5.114864 -1.527702 -1.336128


