%chk=000031790.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031790

0 1
 O   0.4432000       1.476200      0.9730000    
 O    1.981100      -1.059900      0.7981000    
 O    2.970100      0.1064000     -0.9762000    
 O   -2.090700     -0.9527000     -8.5199997E-02
 O   -3.681400      0.7587000      0.1620000    
 O    1.041000       2.824000     -0.8668000    
 C   0.9379000     -0.5788000     -5.3300001E-02
 C  -0.1044000      0.1642000      0.7530000    
 C    1.603700      0.4927000     -0.8664000    
 C   -1.428700      0.3112000      1.6100001E-02
 C    1.442100       1.752300     -2.1700000E-02
 C    3.184700     -0.8803000      4.1900001E-02
 C   -2.440200       1.167900      0.7382000    
 C   -3.487300     -0.6252000     -0.1738000    
 C    3.561400      -2.197400     -0.6303000    
 C    4.289600     -0.4117000      0.9782000    
 C   -3.968800     -0.8522000      -1.601100    
 C   -4.253400      -1.495400      0.8144000    
 H   0.5529000      -1.419800     -0.6379000    
 H  -0.2567000     -0.3116000       1.728500    
 H    1.172100      0.6093000      -1.865800    
 H   -1.283000      0.6993000      -1.000300    
 H    2.369900       2.041900      0.4823000    
 H   -2.478700      0.9551000       1.812400    
 H   -2.287400       2.240000      0.5890000    
 H    3.698700      -2.994600      0.1077000    
 H    2.771500      -2.523900      -1.316200    
 H    4.476700      -2.092800      -1.222400    
 H    5.220300     -0.2225000      0.4330000    
 H    4.006900      0.5252000       1.470600    
 H    4.477900      -1.145000       1.769400    
 H    1.280300       3.650400     -0.4140000    
 H   -3.812400      -1.890100      -1.913100    
 H   -5.028700     -0.5989000      -1.708400    
 H   -3.412800     -0.2171000      -2.300100    
 H   -5.322700      -1.259900      0.8059000    
 H   -4.116500      -2.559800      0.5964000    
 H   -3.892800      -1.326400       1.835500    


%chk=000031790-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031790

0 1
O 0.488385 1.665593 0.878413
O 1.712894 -1.248546 0.587427
O 3.259802 0.361979 -0.119883
O -2.033661 -0.674871 -0.685055
O -3.767448 0.754204 0.025558
O 0.850290 2.794586 -1.238054
C 0.959613 -0.368101 -0.329530
C -0.133341 0.372070 0.462692
C 1.988461 0.732002 -0.761966
C -1.415374 0.635065 -0.349466
C 1.464026 2.041426 -0.145514
C 3.151322 -1.067345 0.284283
C -2.506691 1.389177 0.452670
C -3.453295 -0.670754 -0.204367
C 3.583570 -1.980117 -0.875804
C 3.941364 -1.260920 1.571770
C -4.353919 -1.178146 -1.326355
C -3.549232 -1.483360 1.096883
H 0.545083 -0.950447 -1.170261
H -0.373367 -0.174157 1.390517
H 2.107825 0.828336 -1.854060
H -1.174088 1.155150 -1.293918
H 2.246426 2.623649 0.370640
H -2.352004 1.282328 1.545108
H -2.583685 2.455416 0.196300
H 3.455578 -3.038749 -0.591808
H 2.977236 -1.785416 -1.778052
H 4.643604 -1.800119 -1.123776
H 5.011169 -1.059016 1.394666
H 3.565544 -0.568660 2.341522
H 3.829438 -2.297254 1.932651
H 0.495710 3.648115 -0.881287
H -4.112291 -2.228295 -1.561974
H -5.412402 -1.115390 -1.020629
H -4.203575 -0.563390 -2.227890
H -4.596030 -1.522181 1.445002
H -3.190664 -2.512477 0.923819
H -2.930873 -1.032587 1.892329


