%chk=000114446.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114446

0 1
 O   0.9825000       1.713800     -0.5819000    
 O    1.180700     -0.7497000       1.315100    
 O   -1.843100      0.6763000     -0.1154000    
 O    2.720700      -1.414400      -1.227200    
 O   -2.413800      -1.439400      0.6161000    
 C   0.2746000     -0.3962000      0.2583000    
 C    1.088400      0.3008000     -0.8171000    
 C  -0.6917000      0.6665000      0.7215000    
 C    2.498300     -0.1747000     -0.5643000    
 C   9.4899997E-02   1.946700      0.5232000    
 C    2.518100     -0.3871000      0.9362000    
 C   -2.620300     -0.4472000     -6.9499999E-02
 C   -3.789200     -0.2953000     -0.9951000    
 H  -0.1537000      -1.325100     -0.1242000    
 H   0.7168000      9.3500003E-02  -1.825500    
 H   -1.004500      0.5684000       1.767200    
 H    3.273900      0.5306000     -0.8774000    
 H  -0.5346000       2.810800      0.2927000    
 H   0.7141000       2.174800       1.397000    
 H    3.200600      -1.180900       1.252800    
 H    2.769000      0.5370000       1.467100    
 H    2.649600      -1.249500      -2.182900    
 H   -3.434500     -0.1619000      -2.020200    
 H   -4.399400      0.5564000     -0.6844000    
 H   -4.404400      -1.198700     -0.9539000    


%chk=000114446-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114446

0 1
O 0.941338 1.711836 -0.603269
O 1.308269 -0.793077 1.310133
O -1.840658 0.521367 -0.250656
O 3.015664 -1.368500 -1.212837
O -2.909984 -1.121475 1.021596
C 0.368131 -0.509654 0.202628
C 1.170989 0.267781 -0.866760
C -0.688720 0.504681 0.698075
C 2.650665 -0.091437 -0.581437
C 0.034035 1.845229 0.566000
C 2.664563 -0.313507 0.935329
C -2.902605 -0.358293 0.032446
C -3.986394 -0.215672 -1.012791
H -0.072455 -1.459251 -0.140507
H 0.866006 0.058660 -1.906997
H -1.042481 0.256384 1.711489
H 3.320886 0.729380 -0.900938
H -0.652173 2.682743 0.364695
H 0.625519 2.046617 1.480553
H 3.389677 -1.091816 1.221696
H 2.883256 0.631282 1.469427
H 3.004208 -1.261938 -2.197732
H -3.576206 -0.414936 -2.017752
H -4.374914 0.817482 -1.017573
H -4.803619 -0.918384 -0.796618


