%chk=000080534.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080534

0 1
 O   0.1765000      -1.273400      -1.447100    
 O   0.7668000       2.080300     -0.3446000    
 O    2.269800      -1.532400      0.4304000    
 O   -3.670800     -0.1425000      2.1500001E-02
 O    1.697200      0.8134000      -2.029200    
 O    2.244500      0.2349000       1.915400    
 O   -2.324100      -1.947000     -0.4843000    
 C  -7.9400003E-02 -0.1209000     -0.6434000    
 C   0.2037000     -0.4698000      0.8266000    
 C   -1.535300      0.3075000     -0.8766000    
 C   0.9048000      0.9539000      -1.105500    
 C    1.680800     -0.5301000       1.143300    
 C   -2.530600     -0.7416000     -0.4265000    
 C    1.636100       3.165200     -0.6832000    
 C    3.680000      -1.679200      0.6237000    
 C   -4.703800      -1.031300      0.4578000    
 C    1.358100       4.307700      0.2363000    
 C    4.164900      -2.810100     -0.2213000    
 C   -5.872500     -0.2219000      0.9129000    
 C    2.268300       4.846300       1.055200    
 C    4.758600      -3.905400      0.2656000    
 C   -7.093500     -0.3036000      0.3729000    
 H  -0.2258000      -1.438100       1.109000    
 H  -0.2347000      0.2854000       1.491100    
 H   -1.718900      0.4880000      -1.942400    
 H   -1.738200       1.241000     -0.3380000    
 H    1.075400      -1.589500      -1.255600    
 H    2.678100       2.833300     -0.6037000    
 H    1.438900       3.479800      -1.714400    
 H    4.185900     -0.7579000      0.3125000    
 H    3.884800      -1.857700       1.685900    
 H   -4.978300      -1.701300     -0.3655000    
 H   -4.335200      -1.630900       1.298000    
 H   0.3532000       4.721800      0.2291000    
 H    4.024300      -2.726700      -1.295800    
 H   -5.711600      0.4694000       1.735900    
 H    2.003800       5.678000       1.699100    
 H    3.284700       4.471200       1.099500    
 H    5.090200      -4.693000     -0.4022000    
 H    4.923500      -4.036700       1.329200    
 H   -7.903200      0.3113000      0.7507000    
 H   -7.307200     -0.9783000     -0.4484000    


%chk=000080534-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080534

0 1
O -0.060669 -1.218632 -0.518838
O 0.892308 2.263881 -0.068741
O 2.104457 -2.037480 0.928292
O -3.508159 -0.271837 0.022018
O 2.095896 0.542321 -1.078554
O 3.003690 -0.411413 2.352573
O -2.328845 -0.942975 1.917094
C 0.083457 -0.013355 0.276046
C 0.613007 -0.325878 1.725216
C -1.317650 0.644028 0.296814
C 1.126487 0.931213 -0.391144
C 2.025593 -0.882798 1.737585
C -2.389389 -0.282304 0.852262
C 1.905134 3.258987 -0.579934
C 3.471352 -2.614321 0.661244
C -4.669724 -1.128596 0.444765
C 1.271058 4.617541 -0.509070
C 3.723933 -2.557095 -0.821507
C -5.928494 -0.459383 -0.028299
C 1.812093 5.665909 0.159069
C 4.044527 -3.642741 -1.568025
C -6.853663 -1.060315 -0.816300
H -0.094347 -1.049872 2.168925
H 0.607996 0.590113 2.337543
H -1.596980 0.922594 -0.731295
H -1.285847 1.567237 0.901478
H 0.737337 -1.797008 -0.348943
H 2.807158 3.178832 0.051322
H 2.164492 2.962086 -1.613509
H 4.194857 -2.010296 1.239360
H 3.447014 -3.646823 1.046188
H -4.528655 -2.122806 -0.013276
H -4.628096 -1.230655 1.545878
H 0.332737 4.737165 -1.067239
H 3.642770 -1.560753 -1.276386
H -6.085600 0.567648 0.328648
H 1.340162 6.654122 0.151640
H 2.744526 5.567167 0.728637
H 4.252947 -3.556210 -2.639662
H 4.113668 -4.646995 -1.130505
H -7.778868 -0.550042 -1.104401
H -6.713872 -2.081162 -1.193070


