%chk=000036574.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036574

0 1
 O    1.954500      0.4109000      -1.412900    
 O    1.967200      -2.029800     -2.3000001E-03
 C   -1.142800      8.6300001E-02  0.2892000    
 C    1.815100      0.3930000      1.2100000E-02
 C  -0.2495000      -1.094100     -0.1089000    
 C  -0.5122000       1.419600     -0.1326000    
 C    1.169000     -0.9366000      0.4457000    
 C   0.9131000       1.573200      0.4064000    
 C   -2.537800     -6.5399997E-02 -0.3141000    
 C    3.212600      0.5664000      0.6132000    
 C   -3.148900      -1.408400      7.8599997E-02
 C   -3.440400       1.085000      0.1256000    
 H   -1.227400      8.6700000E-02   1.385500    
 H  -0.6396000      -2.042600      0.2768000    
 H  -0.2153000      -1.206400      -1.200500    
 H   -1.091100       2.267300      0.2483000    
 H  -0.5024000       1.504200      -1.226500    
 H    1.123300     -0.9907000       1.541200    
 H    1.325300       2.513100      1.8300001E-02
 H   0.8747000       1.663600       1.499600    
 H   -2.474400     -3.8300000E-02  -1.410100    
 H    3.634700       1.540600      0.3396000    
 H    3.192300      0.4977000       1.705500    
 H    3.911300     -0.1829000      0.2257000    
 H   -4.205100      -1.450700     -0.2113000    
 H   -2.661000      -2.245500     -0.4298000    
 H   -3.097100      -1.575000       1.160000    
 H   -3.435400       1.208000       1.214000    
 H   -4.476400      0.9015000     -0.1815000    
 H   -3.149100       2.033800     -0.3344000    
 H    2.358100       1.258700      -1.666300    
 H    2.772800      -2.052100      0.5410000    


%chk=000036574-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036574

0 1
O 2.049786 0.309580 -1.362338
O 2.089947 -2.034804 0.072342
C -1.143485 0.091297 0.302228
C 1.878471 0.433102 0.120840
C -0.193782 -1.078783 -0.074619
C -0.486187 1.423539 -0.149952
C 1.227712 -0.923859 0.504448
C 0.923763 1.603503 0.450610
C -2.574787 -0.102359 -0.292346
C 3.257216 0.612757 0.780387
C -3.226349 -1.429298 0.174335
C -3.518137 1.076365 0.058831
H -1.247005 0.116542 1.412472
H -0.586600 -2.047675 0.279682
H -0.115362 -1.132952 -1.179429
H -1.109096 2.287899 0.144097
H -0.413543 1.427344 -1.256232
H 1.201807 -1.001514 1.607105
H 1.377011 2.551952 0.096144
H 0.846184 1.684661 1.554842
H -2.470264 -0.141238 -1.399029
H 3.757357 1.529338 0.409176
H 3.160173 0.709861 1.877180
H 3.897094 -0.260418 0.568953
H -4.257703 -1.512994 -0.215956
H -2.669580 -2.317762 -0.170074
H -3.281797 -1.469099 1.280107
H -3.581652 1.212744 1.156522
H -4.540433 0.877465 -0.313330
H -3.184872 2.030901 -0.384539
H 2.664720 1.020850 -1.671172
H 2.287493 -1.855843 -0.886184


