%chk=000080505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080505

0 1
 O   -2.626000      -1.235000     -8.5199997E-02
 O   -1.751000      0.9654000     -0.2932000    
 C  -0.2680000     -0.8973000     -0.1775000    
 C   0.9042000      3.4000000E-03  0.2117000    
 C   -1.591700     -0.3258000      0.3009000    
 C    2.238700     -0.5923000     -0.2427000    
 C    3.413200      0.2922000      0.1815000    
 C   -4.145500      0.6368000     -0.2574000    
 C   -3.906400     -0.7521000      0.3202000    
 C   -2.987600       1.558900      0.1012000    
 C    4.775500     -0.2711000     -0.2282000    
 C    5.944600      0.6170000      0.1686000    
 H  -0.2896000      -1.010400      -1.269300    
 H  -0.1307000      -1.904700      0.2342000    
 H   0.7864000      0.9973000     -0.2359000    
 H   0.9158000      0.1381000       1.300200    
 H   -1.576500     -0.2314000       1.395200    
 H    2.240400     -0.7074000      -1.333200    
 H    2.362000      -1.592900      0.1891000    
 H    3.394700      0.4228000       1.270700    
 H    3.290900       1.289700     -0.2586000    
 H   -4.191000      0.5514000      -1.350100    
 H   -5.096800       1.048200      9.3300000E-02
 H   -3.959200     -0.7423000       1.415100    
 H   -4.664500      -1.451700     -4.5000002E-02
 H   -3.087100       2.515500     -0.4209000    
 H   -2.962200       1.765700       1.177500    
 H    4.911000      -1.259700      0.2267000    
 H    4.795900     -0.4163000      -1.314900    
 H    6.890000      0.1658000     -0.1481000    
 H    5.978700      0.7548000       1.253900    
 H    5.862600       1.602500     -0.3005000    


%chk=000080505-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080505

0 1
O -2.657354 -1.266206 -0.047764
O -1.800365 0.979986 -0.358943
C -0.268803 -0.883527 -0.136623
C 0.934147 -0.019822 0.301453
C -1.606433 -0.309582 0.312112
C 2.281763 -0.576981 -0.207927
C 3.493994 0.276732 0.227089
C -4.250022 0.614557 -0.328184
C -3.985424 -0.747214 0.344801
C -3.097845 1.576517 0.022956
C 4.843703 -0.261614 -0.300163
C 6.048920 0.597246 0.140206
H -0.296823 -0.973401 -1.238732
H -0.184144 -1.906799 0.275786
H 0.789597 1.011428 -0.072885
H 0.961574 0.045532 1.409863
H -1.654219 -0.135431 1.417693
H 2.255602 -0.637341 -1.316067
H 2.415737 -1.617208 0.156860
H 3.529499 0.327912 1.335734
H 3.353475 1.319428 -0.127036
H -4.293963 0.479305 -1.423528
H -5.218048 1.031102 0.013244
H -4.025653 -0.642749 1.453203
H -4.706966 -1.517412 0.030010
H -3.159334 2.525998 -0.531784
H -3.096853 1.793346 1.115683
H 4.982767 -1.304437 0.051659
H 4.807565 -0.310086 -1.407758
H 7.000667 0.193710 -0.252062
H 6.126654 0.634614 1.243385
H 5.947383 1.637497 -0.222981


