%chk=000031494.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031494

0 1
 O    4.580200      -1.306800     -0.5258000    
 O  -0.3596000       2.268600       1.267100    
 O   -1.495200       1.918800      -1.497900    
 C    1.048700      0.7185000      0.1365000    
 C   -2.406300      0.1768000     -0.1566000    
 C  -0.2191000       1.445000      0.3748000    
 C    1.114600     -0.1952000     -0.8982000    
 C    2.132500      0.9733000      0.9554000    
 C   -1.422300       1.190500     -0.5008000    
 C    3.415200     -0.6380000     -0.3078000    
 C    2.309000     -0.8799000      -1.122300    
 C    3.326900      0.2887000      0.7313000    
 C   -2.248600     -0.5832000       1.002400    
 C   -3.508300     -3.5399999E-02 -0.9851000    
 C   -3.192700      -1.555500       1.332800    
 C   -4.452400      -1.007600     -0.6545000    
 C   -4.294500      -1.767600      0.5044000    
 C    5.671700      -1.011100      0.3442000    
 H   0.2756000     -0.4067000      -1.552700    
 H    2.080500       1.691200       1.768800    
 H    2.372300      -1.600400      -1.933200    
 H    4.146600      0.5244000       1.401400    
 H   -1.405400     -0.4454000       1.672600    
 H   -3.650400      0.5453000      -1.892800    
 H   -3.070400      -2.147200       2.235400    
 H   -5.310400      -1.173100      -1.299500    
 H   -5.029600      -2.524500      0.7618000    
 H    5.989700      3.2699998E-02  0.2505000    
 H    6.515700      -1.632100      2.6500000E-02
 H    5.445800      -1.284800       1.380400    


%chk=000031494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031494

0 1
O 5.139132 -0.870431 -0.747049
O -0.489056 1.316734 1.581708
O -1.162979 0.920754 -1.728274
C 1.183247 0.334206 0.134005
C -2.631194 -0.074407 -0.081055
C -0.199121 0.737823 0.485395
C 1.514217 -0.365462 -1.065601
C 2.223059 0.633132 1.058021
C -1.340502 0.522034 -0.535689
C 3.861498 -0.443153 -0.390540
C 2.835963 -0.752548 -1.323572
C 3.552422 0.255411 0.809448
C -2.813332 -0.608057 1.225099
C -3.700432 -0.140763 -1.018752
C -4.043642 -1.199936 1.580317
C -4.927825 -0.726881 -0.658233
C -5.101949 -1.259584 0.643520
C 6.248856 -0.577610 0.169613
H 0.736416 -0.589827 -1.800009
H 1.957832 1.170118 1.975218
H 3.107009 -1.286467 -2.238905
H 4.331547 0.501280 1.536771
H -2.005454 -0.544620 1.958946
H -3.538630 0.274248 -2.019373
H -4.181064 -1.607815 2.587470
H -5.748164 -0.771877 -1.382715
H -6.057232 -1.717109 0.924835
H 6.378981 0.513090 0.302548
H 7.138230 -1.002643 -0.316867
H 6.091964 -1.060341 1.152821


