%chk=000076963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076963

0 1
 O    1.788600      0.1376000     -0.5839000    
 O    1.316100      -1.088900       1.315900    
 C   0.7583000       1.086100     -0.2229000    
 C  -0.5679000      0.4087000     -0.1388000    
 C    1.252200       1.720600       1.102400    
 C   0.7502000       2.172200      -1.322000    
 C   -1.526100      0.8618000      0.7681000    
 C  -0.8502000     -0.6775000     -0.9672000    
 C   -2.766400      0.2285000      0.8468000    
 C   -2.090700      -1.310600     -0.8885000    
 C   -3.048700     -0.8575000      1.8500000E-02
 C    1.945800     -0.8926000      0.2854000    
 C    3.038800      -1.788400     -0.2138000    
 H    2.325500       1.942100       1.053000    
 H   0.7357000       2.668300       1.297900    
 H    1.092200       1.098100       1.987600    
 H    1.736900       2.641000      -1.412300    
 H   9.3999999E-03   2.952300      -1.115500    
 H   0.5235000       1.735900      -2.302200    
 H   -1.346900       1.713400       1.416800    
 H  -0.1328000      -1.038800      -1.699000    
 H   -3.514100      0.5833000       1.550200    
 H   -2.312900      -2.153000      -1.537000    
 H   -4.015300      -1.349200      7.8299999E-02
 H    3.977500      -1.231700     -0.2728000    
 H    2.768400      -2.194100      -1.192000    
 H    3.171300      -2.620800      0.4832000    


%chk=000076963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076963

0 1
O 1.843250 0.098501 -0.483666
O 1.547017 -1.078530 1.526147
C 0.768453 1.135889 -0.151847
C -0.595063 0.430578 -0.072078
C 1.183524 1.903637 1.117113
C 0.829396 2.058669 -1.388028
C -1.537157 0.723654 0.942654
C -0.952351 -0.499674 -1.083789
C -2.807516 0.103575 0.947784
C -2.216408 -1.125043 -1.077097
C -3.153124 -0.822739 -0.060932
C 2.101403 -0.944310 0.412920
C 3.128560 -1.889193 -0.180256
H 2.224546 2.253244 1.004478
H 0.542811 2.794367 1.246335
H 1.116336 1.271416 2.015169
H 1.825291 2.528242 -1.466513
H 0.064538 2.849916 -1.299783
H 0.634346 1.489936 -2.312251
H -1.282170 1.424942 1.743025
H -0.228131 -0.744053 -1.869718
H -3.522852 0.338845 1.743990
H -2.472067 -1.846957 -1.861086
H -4.136286 -1.306507 -0.053876
H 3.875053 -1.339598 -0.774954
H 2.620103 -2.604444 -0.853112
H 3.616899 -2.457560 0.625570


