%chk=000004947.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004947

0 1
 O   -2.107600     -5.1300000E-02  4.1999999E-03
 O    1.951900      -2.707800     -6.0000003E-04
 O    3.575500       1.797700     -5.5999998E-03
 O    4.072800     -0.9266000     -2.7999999E-03
 O   -1.514700       2.173000      3.9999999E-04
 C   -4.330700     -0.9616000      4.3000001E-03
 C   -3.493300      0.3082000      2.4999999E-03
 C   0.1656000      0.4814000      3.4000000E-03
 C    1.231200       1.381400      1.1000000E-03
 C   0.4121000     -0.8915000      3.5999999E-03
 C   -1.202600      0.9748000      2.9000000E-03
 C    1.724400      -1.364400      1.3000000E-03
 C    2.543400      0.9085000     -1.1000000E-03
 C   -5.818000     -0.6573000     -1.2500000E-02
 C    2.790000     -0.4644000     -1.0000000E-03
 H   -4.066800      -1.577100     -0.8641000    
 H   -4.083000      -1.564000      0.8864000    
 H   -3.709100      0.9027000     -0.8928000    
 H   -3.711300      0.9067000      0.8946000    
 H    1.046400       2.453100      9.9999997E-05
 H  -0.3909000      -1.624000      4.6000001E-03
 H   -6.092100     -8.9299999E-02 -0.9071000    
 H   -6.395400      -1.587100     -1.0400000E-02
 H   -6.109100     -7.4699998E-02  0.8673000    
 H    2.913700      -2.855000     -2.7000001E-03
 H    3.216300       2.701500     -5.2999998E-03
 H    4.674500     -0.1620000     -4.1000000E-03


%chk=000004947-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004947

0 1
O -2.160108 -0.105100 -0.005057
O 2.131591 -2.745778 0.001535
O 3.694004 1.787565 0.002607
O 4.174193 -0.899182 0.004722
O -1.546213 2.143771 -0.005750
C -4.433659 -0.959514 -0.001163
C -3.591079 0.316429 -0.004768
C 0.179425 0.420786 -0.003806
C 1.217637 1.391911 -0.002116
C 0.474815 -0.965545 -0.002521
C -1.219795 0.927560 -0.006998
C 1.818207 -1.384542 0.000318
C 2.550455 0.956430 0.000727
C -5.943948 -0.633093 -0.001334
C 2.856129 -0.422705 0.001948
H -4.174899 -1.566488 -0.888629
H -4.174120 -1.562041 0.889099
H -3.775031 0.937610 -0.901162
H -3.773568 0.941769 0.889016
H 0.944186 2.452960 -0.003212
H -0.327507 -1.705209 -0.003804
H -6.229890 -0.050282 -0.896749
H -6.543977 -1.559903 0.002314
H -6.228728 -0.044031 0.890364
H 3.119106 -2.854372 0.003539
H 3.452259 2.744244 0.001903
H 4.803715 -0.132347 0.005577


