%chk=000044594.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044594

0 1
 O  -0.4619000     -0.8459000     -0.2342000    
 O   0.6764000       1.769200      0.1297000    
 O   -4.561800      -1.438100     -8.6000003E-03
 C   -1.236100      0.2795000      0.2157000    
 C  -0.6537000       1.567700     -0.3787000    
 C   -2.676000      1.4600000E-02 -0.2076000    
 C   -1.451400       2.815300     -1.7600000E-02
 C   0.8850000     -0.6348000     -0.1153000    
 C    1.436300      0.6326000      7.1599998E-02
 C   -3.227600      -1.243600      0.4399000    
 C    1.715100      -1.752900     -0.1995000    
 C    2.815600      0.7800000      0.2199000    
 C    3.095500      -1.603900     -6.5099999E-02
 C    3.644700     -0.3396000      0.1499000    
 H   -1.176800      0.3085000       1.313300    
 H  -0.5827000       1.495100      -1.472700    
 H   -2.736100     -9.1499999E-02  -1.298600    
 H   -3.330500      0.8519000      5.7700001E-02
 H  -0.9152000       3.715700     -0.3378000    
 H   -2.436100       2.823900     -0.4924000    
 H   -1.580300       2.896900       1.067200    
 H   -2.647800      -2.134400      0.1797000    
 H   -3.246000      -1.149600       1.530100    
 H    1.294400      -2.742200     -0.3579000    
 H    3.252000       1.762400      0.3788000    
 H    3.743300      -2.473800     -0.1236000    
 H    4.719500     -0.2265000      0.2585000    
 H   -4.533300      -1.559200     -0.9730000    


%chk=000044594-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044594

0 1
O -0.468544 -0.840853 -0.242433
O 0.693788 1.801304 0.120888
O -4.666066 -1.522312 0.032860
C -1.283532 0.323024 0.214533
C -0.696059 1.616205 -0.390884
C -2.723424 0.019233 -0.212343
C -1.445361 2.891823 -0.010841
C 0.926787 -0.652933 -0.117625
C 1.492083 0.636833 0.071672
C -3.258135 -1.292512 0.397968
C 1.760662 -1.787084 -0.188089
C 2.886807 0.779396 0.219733
C 3.158402 -1.641054 -0.053052
C 3.720304 -0.358541 0.161409
H -1.201708 0.383437 1.321319
H -0.638619 1.495831 -1.493250
H -2.766409 -0.038689 -1.319147
H -3.386274 0.843646 0.107361
H -0.852671 3.768738 -0.321379
H -2.426294 2.941387 -0.512912
H -1.598029 2.950626 1.081440
H -2.617797 -2.144565 0.099872
H -3.268945 -1.228842 1.499554
H 1.299112 -2.768232 -0.338780
H 3.296561 1.783173 0.370254
H 3.803106 -2.524309 -0.107285
H 4.803035 -0.242818 0.275816
H -4.718280 -1.714612 -0.937258


