%chk=000080587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080587

0 1
 O   -2.832900      -1.598000      4.1000000E-03
 C    1.235700     -0.5650000       0.000000    
 C    1.569200      0.8104000       0.000000    
 C   -1.125700      1.9600000E-02  2.0000001E-03
 C  -0.1167000     -0.9439000      1.0000000E-03
 C   0.5405000       1.766400      1.0000000E-03
 C  -0.7978000       1.372100      2.0000001E-03
 C   -2.521300     -0.3893000      3.3000000E-03
 C   -3.633800      0.6743000      4.6000001E-03
 C    2.264400      -1.521200     -1.0000000E-03
 C    2.921500       1.189100     -1.0000000E-03
 C    3.602700      -1.126800     -2.0000001E-03
 C    3.930600      0.2256000     -2.0000001E-03
 C   -5.036300      8.6599998E-02 -1.1900000E-02
 H  -0.3699000      -2.002700      1.0000000E-03
 H   0.7743000       2.829200      1.2000001E-03
 H   -1.548300       2.156100      3.5999999E-03
 H   -3.526000       1.288700      0.9050000    
 H   -3.514500       1.303800     -0.8840000    
 H    2.031800      -2.584000     -1.1000000E-03
 H    3.201100       2.240600     -1.1000000E-03
 H    4.388700      -1.876400     -2.7000001E-03
 H    4.972600      0.5319000     -2.6000000E-03
 H   -5.207500     -0.5435000      0.8670000    
 H   -5.784700      0.8851000     -1.2300000E-02
 H   -5.192300     -0.5304000     -0.9028000    


%chk=000080587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080587

0 1
O -2.860257 -1.641627 -0.002266
C 1.250915 -0.561312 -0.000855
C 1.612036 0.844398 0.001370
C -1.143284 0.051652 -0.000472
C -0.130591 -0.921399 -0.001702
C 0.563927 1.824388 0.002702
C -0.776327 1.443599 0.001777
C -2.577823 -0.406632 -0.001749
C -3.686033 0.652436 -0.002121
C 2.293442 -1.548629 -0.002179
C 2.998813 1.205045 0.002150
C 3.636317 -1.166928 -0.001373
C 3.990993 0.220978 0.000795
C -5.100854 0.049844 -0.005995
H -0.429151 -1.976568 -0.003354
H 0.834808 2.886989 0.004494
H -1.554568 2.213324 0.002833
H -3.543329 1.306496 0.883096
H -3.539926 1.310323 -0.883791
H 2.016859 -2.609539 -0.003855
H 3.272306 2.266987 0.003817
H 4.425311 -1.926696 -0.002403
H 5.048475 0.507770 0.001386
H -5.258097 -0.589637 0.879236
H -5.863703 0.849100 -0.005841
H -5.254860 -0.586060 -0.894400


