%chk=000051147.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051147

0 1
 O   0.7424000      0.1930000       1.498900    
 O    2.876200      0.6770000       3.237800    
 C   0.2032000     -0.3039000      0.2609000    
 C    1.374800     -0.9372000     -0.5317000    
 C  -0.2851000      0.9434000     -0.5257000    
 C  -0.9368000      -1.288000      0.6265000    
 C    2.593000     -2.8500000E-02 -0.7491000    
 C   -1.453200       1.700800      0.1214000    
 C   -1.964700      -1.624300     -0.4616000    
 C    3.719200     -0.7083000      -1.537400    
 C   -1.906400       2.922800     -0.6870000    
 C   -3.146700      -2.459800      3.4600001E-02
 C    1.322200     -0.8545000       2.252800    
 C    4.921100      0.2010000      -1.795100    
 C   -3.057100       3.734000     -8.6499996E-02
 C   -4.142200      -2.734100      -1.094100    
 C    1.875800     -0.2862000       3.545300    
 C    6.000100     -0.5188000      -2.589900    
 C   -3.430400       4.959800     -0.9051000    
 C   -5.305300      -3.588100     -0.6150000    
 H    1.695900      -1.889100     -9.3699999E-02
 H   0.9910000      -1.223000      -1.521600    
 H  -0.5623000      0.6582000      -1.548000    
 H   0.5271000       1.674600     -0.6047000    
 H   -1.479000     -0.8962000       1.498500    
 H  -0.5127000      -2.247300      0.9490000    
 H    2.993600      0.3151000      0.2104000    
 H    2.303100      0.8647000      -1.311100    
 H   -2.319800       1.051700      0.2718000    
 H   -1.149400       2.039500       1.119800    
 H   -2.363100     -0.7170000     -0.9227000    
 H   -1.452200      -2.169900      -1.264100    
 H    3.320800      -1.059000      -2.497700    
 H    4.050400      -1.598800     -0.9886000    
 H   -2.200600       2.589100      -1.690400    
 H   -1.044700       3.588800     -0.8239000    
 H   -2.777400      -3.407900      0.4433000    
 H   -3.653600      -1.930100      0.8501000    
 H    2.169900      -1.317600       1.744200    
 H   0.5957000      -1.619000       2.537400    
 H    5.339800      0.5412000     -0.8410000    
 H    4.600800       1.092600      -2.346200    
 H   -3.938400       3.089500      1.3800000E-02
 H   -2.781900       4.054900      0.9251000    
 H   -3.636600      -3.247600      -1.920200    
 H   -4.529100      -1.787200      -1.488400    
 H    1.088200      0.2193000       4.113100    
 H    2.320600      -1.074200       4.160400    
 H    5.619500     -0.8437000      -3.563600    
 H    6.850800      0.1476000      -2.763000    
 H    6.362800      -1.399800      -2.050700    
 H   -3.744700       4.674100      -1.913800    
 H   -2.581300       5.645100     -0.9910000    
 H   -4.256400       5.497800     -0.4296000    
 H   -4.954500      -4.556700     -0.2450000    
 H   -6.004800      -3.771400      -1.436600    
 H   -5.851800      -3.089300      0.1917000    
 H    3.208900       1.022100       4.083800    


%chk=000051147-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051147

0 1
O 0.671776 0.321188 1.556539
O 2.960102 1.102552 2.903817
C 0.111081 -0.208453 0.265544
C 1.222161 -0.918029 -0.564047
C -0.380478 1.082012 -0.441776
C -1.044616 -1.193737 0.599424
C 2.517068 -0.108616 -0.800553
C -1.546062 1.820408 0.252114
C -1.883991 -1.678182 -0.606086
C 3.596749 -0.930729 -1.540919
C -1.864105 3.176147 -0.418315
C -3.037247 -2.616730 -0.180797
C 1.260140 -0.639922 2.500568
C 4.894578 -0.131993 -1.799467
C -3.037183 3.927714 0.251401
C -3.891177 -3.107588 -1.371734
C 1.970542 0.230452 3.543719
C 5.976196 -0.957626 -2.528833
C -3.351802 5.279997 -0.424037
C -5.048956 -4.034410 -0.941573
H 1.484527 -1.877690 -0.071220
H 0.786118 -1.194573 -1.544662
H -0.661919 0.828735 -1.483583
H 0.481476 1.773324 -0.508048
H -1.713240 -0.702391 1.333107
H -0.620039 -2.084662 1.106373
H 2.924957 0.235827 0.170273
H 2.293898 0.801990 -1.391133
H -2.460688 1.192968 0.239569
H -1.283715 1.980999 1.315417
H -2.311709 -0.808087 -1.143185
H -1.238833 -2.211632 -1.332526
H 3.190637 -1.293044 -2.509283
H 3.840155 -1.837695 -0.947750
H -2.100525 3.014324 -1.491736
H -0.958878 3.818765 -0.394572
H -2.620611 -3.494417 0.356816
H -3.690336 -2.089044 0.545648
H 1.994189 -1.295807 1.990297
H 0.482187 -1.268511 2.982306
H 5.294549 0.232549 -0.831748
H 4.652759 0.771624 -2.395933
H -3.940774 3.284179 0.231936
H -2.797566 4.093321 1.321537
H -3.238239 -3.639558 -2.093750
H -4.300141 -2.229375 -1.912238
H 1.218057 0.830437 4.097962
H 2.529120 -0.397417 4.258314
H 5.608742 -1.315743 -3.509365
H 6.889598 -0.360938 -2.707555
H 6.264472 -1.845621 -1.934830
H -3.626659 5.138077 -1.486546
H -2.473118 5.951825 -0.393186
H -4.190986 5.798457 0.075427
H -4.665250 -4.936892 -0.429274
H -5.645995 -4.367756 -1.810262
H -5.730986 -3.516416 -0.241177
H 2.484687 1.526615 2.140392


