%chk=000051459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051459

0 1
 O   0.2291000       1.000200     -6.2000002E-03
 O    1.951700      -2.687800      9.1000004E-03
 C  -0.5392000     -0.1509000     -5.0000002E-04
 C  -5.6499999E-02  -1.409900     -2.2000000E-03
 C    2.236400     -0.3554000      2.0999999E-03
 C    1.592400      0.8776000     -3.4000000E-03
 C    1.425100      -1.582200      2.9000000E-03
 C   -1.977900      0.1474000      1.7000000E-03
 C  -0.8599000      -2.678200     -1.9300001E-02
 C    3.632400     -0.4207000      6.0999999E-03
 C    2.338900       2.056500     -5.5000000E-03
 C   -2.660500      0.2884000       1.210100    
 C   -2.661200      0.2916000      -1.205800    
 C    4.378000      0.7590000      3.5999999E-03
 C    3.732400       1.995800     -2.2000000E-03
 C   -4.025700      0.5737000       1.210900    
 C   -4.026600      0.5770000      -1.204900    
 C   -4.709000      0.7180000      3.4000000E-03
 H  -0.6361000      -3.279300      0.8684000    
 H  -0.6149000      -3.269500     -0.9082000    
 H   -1.939500      -2.506200     -3.1500001E-02
 H    4.153800      -1.373700      1.0500000E-02
 H    1.843400       3.023500     -9.7000003E-03
 H   -2.141500      0.1795000       2.159400    
 H   -2.143000      0.1853000      -2.155800    
 H    5.463300      0.7143000      6.2000002E-03
 H    4.315600       2.912100     -4.0000002E-03
 H   -4.557000      0.6837000       2.151800    
 H   -4.558500      0.6894000      -2.145100    
 H   -5.772100      0.9402000      4.1000000E-03


%chk=000051459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051459

0 1
O 0.202805 0.914632 -0.209110
O 2.040844 -2.758715 0.480248
C -0.575171 -0.236020 0.054472
C 0.003797 -1.479222 0.265483
C 2.265650 -0.398475 0.017209
C 1.602645 0.828328 -0.229312
C 1.478992 -1.628791 0.275492
C -2.014485 0.118851 0.033228
C -0.787494 -2.755524 0.450858
C 3.686059 -0.413628 -0.007546
C 2.307532 2.023393 -0.494059
C -2.947016 -0.495288 0.913477
C -2.477463 1.124175 -0.861657
C 4.406108 0.763145 -0.269842
C 3.713442 1.982731 -0.513291
C -4.308923 -0.128328 0.883151
C -3.839906 1.483936 -0.893136
C -4.763164 0.856835 -0.023576
H -0.950248 -2.982943 1.521847
H -0.192936 -3.593192 0.048658
H -1.768158 -2.719499 -0.050386
H 4.183599 -1.370331 0.181908
H 1.751944 2.948436 -0.673132
H -2.603943 -1.233263 1.643719
H -1.761995 1.615164 -1.527952
H 5.500627 0.746687 -0.287741
H 4.276767 2.899925 -0.715934
H -5.012674 -0.604772 1.574242
H -4.182170 2.252851 -1.594303
H -5.821667 1.138301 -0.047014


