%chk=000080471.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080471

0 1
 O   0.7752000       2.106400     -0.3053000    
 O   -2.370000     -0.5013000     -0.3810000    
 O    1.782900      -1.555300     -0.4281000    
 O   -1.266200       1.815200      0.7286000    
 O   -1.178300      -1.923200      0.9900000    
 O    1.747600     -0.2382000       1.465300    
 C  -5.4800000E-02 -9.8200001E-02 -0.1656000    
 C  -0.2814000       1.371200      0.1528000    
 C   -1.240500     -0.9619000      0.2346000    
 C    1.253200     -0.6162000      0.4111000    
 C   0.6910000       3.516400     -7.5300001E-02
 C   -3.568100      -1.230100     -9.5799997E-02
 C    3.025500      -2.127200     -7.6000001E-03
 C    1.928700       4.182500     -0.6376000    
 C   -4.720100     -0.5988000     -0.8483000    
 C    3.475200      -3.141300      -1.037700    
 H   1.7600000E-02 -0.1620000      -1.260900    
 H  -0.2013000       3.914700     -0.5710000    
 H   0.6249000       3.707200       1.001600    
 H   -3.445900      -2.272000     -0.4121000    
 H   -3.767400      -1.197600      0.9811000    
 H    3.778100      -1.336400      8.6499996E-02
 H    2.891200      -2.619200      0.9622000    
 H    1.897600       5.263900     -0.4783000    
 H    2.830900       3.781000     -0.1644000    
 H    2.018400       3.985500      -1.711000    
 H   -5.654500      -1.132000     -0.6522000    
 H   -4.842700      0.4493000     -0.5560000    
 H   -4.527200     -0.6076000      -1.926100    
 H    4.424700      -3.599400     -0.7470000    
 H    2.724000      -3.929200      -1.156100    
 H    3.596200      -2.667700      -2.017500    


%chk=000080471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080471

0 1
O 0.681342 2.345643 -0.338950
O -2.203239 -0.566094 -0.523118
O 1.757490 -1.612413 -0.446116
O -0.939256 1.809220 1.252431
O -1.047077 -1.743765 1.127051
O 2.086476 -0.066611 1.271069
C 0.072261 0.048776 -0.182678
C -0.150002 1.473338 0.347380
C -1.085471 -0.868789 0.239540
C 1.411135 -0.510810 0.321747
C 0.672518 3.769322 0.132478
C -3.462061 -1.297767 -0.163244
C 2.986265 -2.354980 -0.012332
C 1.682252 4.521716 -0.726139
C -4.553145 -0.774685 -1.089939
C 3.149386 -3.529871 -0.969250
H 0.103072 0.087463 -1.285262
H -0.355960 4.158565 0.025351
H 0.937351 3.771232 1.204740
H -3.276064 -2.379755 -0.287855
H -3.674697 -1.099847 0.902335
H 3.839565 -1.653833 -0.044974
H 2.835356 -2.673734 1.034350
H 1.719229 5.581315 -0.413979
H 2.691479 4.090891 -0.613286
H 1.402246 4.483517 -1.792763
H -5.508598 -1.281628 -0.862592
H -4.695265 0.310929 -0.955320
H -4.301081 -0.966670 -2.146886
H 4.042602 -4.117141 -0.688320
H 2.269992 -4.194698 -0.928465
H 3.276397 -3.180337 -2.008107


