%chk=000044670.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044670

0 1
 O    2.192700      0.5938000     -0.3415000    
 O   -1.691800     -0.9301000       1.255000    
 O    1.306000      -2.120400      0.8886000    
 O   0.6103000       1.499700       1.070300    
 C   6.6200003E-02 -0.4269000     -0.3124000    
 C   -2.308900      0.5864000     -0.5229000    
 C   -1.357800     -0.3329000      0.2317000    
 C   -3.718900      0.6262000      6.2199999E-02
 C   0.6505000      -1.821900     -0.1095000    
 C   0.9586000      0.6714000      0.2391000    
 C   -4.647400       1.551800     -0.7121000    
 C   0.3597000      -2.840700      -1.182200    
 C    3.136800       1.582600      8.2000002E-02
 C    4.444100       1.360900     -0.6484000    
 H   8.8999998E-03 -0.2561000      -1.395800    
 H   -1.878700       1.593900     -0.5160000    
 H   -2.355100      0.2376000      -1.560800    
 H   -3.675500      0.9553000       1.107400    
 H   -4.143700     -0.3848000      6.9899999E-02
 H   -4.269400       2.579000     -0.7050000    
 H   -5.644900       1.552100     -0.2618000    
 H   -4.743000       1.227300      -1.753100    
 H  -0.7203000      -2.977800      -1.275600    
 H   0.7818000      -2.503100      -2.131900    
 H   0.8158000      -3.797800     -0.9143000    
 H    2.748300       2.580800     -0.1489000    
 H    3.296900       1.495200       1.162400    
 H    5.190700       2.101200     -0.3476000    
 H    4.835700      0.3594000     -0.4419000    
 H    4.296400       1.427300      -1.731400    


%chk=000044670-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044670

0 1
O 2.199351 0.574325 -0.759446
O -1.990958 -0.981580 -2.143629
O 0.197937 -1.025909 1.371980
O 0.384587 2.019473 -0.571823
C 0.067054 -0.426471 -1.006644
C -2.254912 0.612384 -0.301805
C -1.467390 -0.284045 -1.234808
C -3.782783 0.475236 -0.444291
C 0.264094 -1.421568 0.182987
C 0.837941 0.868960 -0.749289
C -4.533397 1.428408 0.509205
C 0.481262 -2.866179 -0.215588
C 3.127341 1.722009 -0.489005
C 4.542878 1.157686 -0.518498
H 0.481399 -0.899796 -1.913611
H -1.920139 0.409972 0.737600
H -1.924720 1.655106 -0.488316
H -4.079858 -0.572339 -0.245826
H -4.070702 0.678193 -1.492607
H -4.277704 1.222854 1.565787
H -5.627705 1.319292 0.399923
H -4.277062 2.484515 0.302211
H -0.267203 -3.171746 -0.970660
H 1.476479 -2.971597 -0.689002
H 0.426072 -3.523893 0.665124
H 2.957267 2.490360 -1.264476
H 2.858310 2.151706 0.492291
H 5.269207 1.966528 -0.319478
H 4.672971 0.378308 0.251365
H 4.774383 0.719207 -1.504169


