%chk=000076722.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076722

0 1
 O   -2.970800     -0.3743000     -9.2200004E-02
 O   -3.166700       1.397400       1.377400    
 C   -1.131200     -0.9274000      -1.549500    
 C  -0.7458000      -2.177100     -0.7449000    
 C   -1.813400      0.1682000     -0.7221000    
 C    1.572600      -1.816900      0.2882000    
 C    2.491100      -1.498800       1.449600    
 C   0.2264000      -1.829100      0.3491000    
 C    3.392000     -0.2793000       1.217400    
 C   -2.210200       1.388200      -1.541500    
 C    2.270100      -2.184300     -0.9969000    
 C    2.612500      0.9810000      0.9624000    
 C    2.720200       1.829300     -7.7500001E-02
 C   -3.650300      0.4774000      0.7319000    
 C    3.646900       1.657000      -1.246900    
 C    1.863300       3.065900     -0.1421000    
 C   -5.106600      0.1229000      0.7376000    
 H   -1.819200      -1.250000      -2.341800    
 H  -0.2444000     -0.5150000      -2.046700    
 H  -0.3547000      -2.949800      -1.413300    
 H   -1.637700      -2.622400     -0.2872000    
 H   -1.114300      0.4995000      5.6400001E-02
 H    1.897300      -1.337000       2.359000    
 H    3.120100      -2.374700       1.652800    
 H  -0.2349000      -1.564300       1.299700    
 H    4.111900     -0.4995000      0.4257000    
 H    3.989900     -0.1210000       2.123900    
 H   -3.017600       1.141400      -2.239900    
 H   -2.568000       2.214900     -0.9210000    
 H   -1.357200       1.760900      -2.118200    
 H    2.957600      -3.018700     -0.8199000    
 H    2.852400      -1.337700      -1.372100    
 H    1.609400      -2.484900      -1.811300    
 H    1.899900       1.229300       1.748600    
 H    4.298900      0.7854000      -1.172400    
 H    3.067800       1.555600      -2.170900    
 H    4.294900       2.534700      -1.343200    
 H    1.194700       3.156900      0.7204000    
 H    2.491900       3.962000     -0.1711000    
 H    1.240400       3.047600      -1.042600    
 H   -5.643700      0.8064000       1.401300    
 H   -5.515700      0.2233000     -0.2708000    
 H   -5.238300     -0.8970000       1.107300    


%chk=000076722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076722

0 1
O -2.710926 -0.045865 -0.376401
O -1.970658 1.572621 1.139121
C -1.164750 -1.236615 -1.839530
C -0.962001 -2.386754 -0.808655
C -1.460390 0.130264 -1.208572
C 1.393583 -2.058549 0.203427
C 2.249663 -1.619677 1.385525
C 0.031807 -2.052829 0.293589
C 2.998676 -0.269661 1.150645
C -1.718461 1.243816 -2.231306
C 2.149282 -2.451449 -1.053987
C 2.046303 0.889578 0.917930
C 2.226820 1.979964 0.117246
C -2.837102 0.746690 0.763073
C 3.470785 2.233117 -0.718374
C 1.158681 3.059780 0.021236
C -4.154118 0.466384 1.458031
H -1.980782 -1.505953 -2.539108
H -0.242086 -1.116725 -2.441355
H -0.644939 -3.291330 -1.364571
H -1.940858 -2.620817 -0.352953
H -0.648273 0.420978 -0.518685
H 1.612147 -1.515238 2.285012
H 3.006326 -2.399788 1.612811
H -0.406869 -1.732318 1.250761
H 3.708983 -0.379187 0.309053
H 3.620533 -0.071762 2.050348
H -2.579377 0.993073 -2.876637
H -1.918249 2.203072 -1.723921
H -0.828675 1.376215 -2.874056
H 2.970160 -3.155428 -0.814332
H 2.617651 -1.565857 -1.528222
H 1.499045 -2.926659 -1.807863
H 1.104006 0.834925 1.486444
H 4.202353 1.409477 -0.668324
H 3.203773 2.394814 -1.782036
H 3.982566 3.156846 -0.380692
H 0.252637 2.796031 0.593190
H 1.540739 4.030952 0.396391
H 0.861999 3.228856 -1.034553
H -4.201387 1.025995 2.403218
H -4.993635 0.769209 0.807656
H -4.263479 -0.614194 1.652128


