%chk=000047799.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047799

0 1
 O    3.877200      -1.681600     -0.4132000    
 O    4.209600      0.2723000      0.6825000    
 C   0.3207000       1.124300      1.6200000E-02
 C    1.599800       1.140400     -0.8465000    
 C    1.078800      0.1943000      0.9862000    
 C    1.949500     -0.2242000     -0.2169000    
 C  -0.8817000      0.4600000     -0.6683000    
 C   -2.087300      0.4649000      0.2703000    
 C    3.453400     -0.4836000      7.7000000E-02
 C   -3.293300     -0.2268000     -0.3662000    
 C   -4.508000     -0.1913000      0.5608000    
 C   -5.718700     -0.8487000     -8.1900001E-02
 H   6.7699999E-02   2.107500      0.4299000    
 H    2.291800       1.951800     -0.5906000    
 H    1.453500       1.137700      -1.930400    
 H   0.5036000     -0.6115000       1.450300    
 H    1.619100      0.7321000       1.774700    
 H    1.509400      -1.062300     -0.7762000    
 H   -1.134400       1.024200      -1.574600    
 H  -0.6600000     -0.5655000     -0.9841000    
 H   -2.346300       1.499300      0.5281000    
 H   -1.834100     -3.8500000E-02   1.210800    
 H   -3.039900      -1.267700     -0.6012000    
 H   -3.540900      0.2674000      -1.313600    
 H   -4.755300      0.8468000      0.8118000    
 H   -4.274400     -0.7053000       1.500400    
 H    4.826400      -1.838500     -0.2214000    
 H   -5.515800      -1.898100     -0.3183000    
 H   -6.575200     -0.8133000      0.5987000    
 H   -5.998800     -0.3356000      -1.007400    


%chk=000047799-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047799

0 1
O 4.215436 -1.511493 -0.272204
O 4.193569 0.546418 0.801760
C 0.364924 1.035172 -0.045576
C 1.629140 0.988657 -0.975365
C 1.098410 0.037114 0.923274
C 2.122503 -0.307495 -0.224400
C -0.919620 0.481853 -0.690896
C -2.120525 0.428782 0.280662
C 3.575373 -0.338541 0.165446
C -3.399569 -0.153517 -0.362091
C -4.608844 -0.185275 0.600343
C -5.881072 -0.771166 -0.049330
H 0.157071 2.027330 0.395046
H 2.313677 1.835487 -0.798439
H 1.448125 0.876614 -2.057687
H 0.510188 -0.810948 1.311898
H 1.599936 0.553512 1.759232
H 1.860980 -1.230783 -0.762912
H -1.184984 1.115107 -1.563440
H -0.725056 -0.535021 -1.093611
H -2.331025 1.452551 0.654906
H -1.851643 -0.176579 1.171296
H -3.193612 -1.182629 -0.724293
H -3.663786 0.443523 -1.260272
H -4.815511 0.843833 0.958775
H -4.343905 -0.779147 1.499057
H 5.171474 -1.483063 0.007686
H -5.709930 -1.810052 -0.389604
H -6.729831 -0.783302 0.659009
H -6.185494 -0.176443 -0.931371


