%chk=000085831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085831

0 1
 O    3.776400      0.5922000     -0.5664000    
 O    3.215600      -1.246400      0.7158000    
 C   -1.880400      -1.099400     -4.2800002E-02
 C   -3.339700     -0.5821000      8.1500001E-02
 C   -3.537500      0.7529000     -0.6138000    
 C  -0.8529000      2.6799999E-02  0.2195000    
 C   -2.627200       1.802800      5.2000000E-03
 C   -1.209200       1.335300      0.2646000    
 C   -1.669000      -1.671200      -1.463600    
 C   -1.749800      -2.256600      0.9777000    
 C   0.5247000     -0.4057000      0.3884000    
 C  -0.2845000       2.492000      0.5668000    
 C    1.548100      0.2542000     -0.1443000    
 C    2.921400     -0.2504000      7.3799998E-02
 C    5.164000      0.2555000     -0.4625000    
 H   -3.607300     -0.4656000       1.141200    
 H   -4.043400      -1.315500     -0.3324000    
 H   -4.581900       1.072900     -0.5216000    
 H   -3.333000      0.6622000      -1.686600    
 H   -3.057900       2.135900      0.9584000    
 H   -2.613000       2.675200     -0.6600000    
 H   -1.716300     -0.8894000      -2.229400    
 H  -0.6919000      -2.159400      -1.558000    
 H   -2.429900      -2.422300      -1.704800    
 H   -2.583900      -2.961700      0.8772000    
 H  -0.8339000      -2.839200      0.8312000    
 H   -1.755100      -1.882300       2.007900    
 H   0.6999000      -1.278900       1.007200    
 H   6.1099999E-02   2.962600     -0.3588000    
 H   0.5706000       2.218300       1.189900    
 H  -0.8201000       3.255800       1.143800    
 H    1.435800       1.110100     -0.7996000    
 H    5.480400      0.2729000      0.5848000    
 H    5.737800       1.004300      -1.015100    
 H    5.349300     -0.7273000     -0.9064000    


%chk=000085831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085831

0 1
O 3.967135 0.621413 -0.476535
O 3.232547 -1.393968 0.455934
C -1.903308 -1.085251 -0.051885
C -3.378182 -0.604008 0.082835
C -3.634272 0.735242 -0.628244
C -0.900364 0.093494 0.132769
C -2.771125 1.821161 0.035691
C -1.317301 1.410055 0.228704
C -1.682699 -1.730089 -1.453042
C -1.679664 -2.177814 1.038904
C 0.510025 -0.316747 0.214860
C -0.410647 2.579974 0.568959
C 1.639309 0.373321 -0.150118
C 2.966212 -0.252940 -0.006242
C 5.348334 0.100343 -0.391365
H -3.621724 -0.485126 1.158956
H -4.043459 -1.396882 -0.310836
H -4.704706 1.009458 -0.573571
H -3.376184 0.654787 -1.702008
H -3.200456 2.092980 1.025358
H -2.791211 2.758237 -0.558579
H -1.926180 -1.022580 -2.266253
H -0.630775 -2.041873 -1.586763
H -2.322241 -2.625779 -1.568703
H -2.511700 -2.906002 1.000044
H -0.745334 -2.747226 0.891353
H -1.660335 -1.734351 2.051400
H 0.703759 -1.338004 0.573618
H -0.061002 3.103744 -0.343997
H 0.481806 2.278032 1.141098
H -0.973861 3.326604 1.160799
H 1.623571 1.369427 -0.597065
H 5.607838 -0.134838 0.655146
H 5.980743 0.909183 -0.784214
H 5.452752 -0.815479 -0.998207


