%chk=000122545.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122545

0 1
 O    2.421800     -0.2593000      0.9252000    
 O    2.563900      -1.500600      -1.014600    
 C   -1.198100       1.389500     -0.1747000    
 C  -0.4542000      -1.058400     -0.7775000    
 C  -0.4031000      0.4433000      -1.107300    
 C   -2.607900      0.8214000      0.1002000    
 C   -2.602100     -0.6457000      0.5544000    
 C   -1.883400      -1.524800     -0.4762000    
 C  -0.4508000       1.652000       1.145800    
 C   -1.347200       2.754100     -0.8841000    
 C   0.5288000      -1.479200      0.3159000    
 C   -4.033500      -1.141300      0.7686000    
 C    1.946200      -1.107200     -3.4699999E-02
 C    3.767600      0.1907000      0.7378000    
 C    3.752100       1.465500     -7.8599997E-02
 H  -0.1370000      -1.585800      -1.689300    
 H   0.6307000      0.7941000      -1.207300    
 H  -0.8297000      0.5431000      -2.116800    
 H   -3.212600      0.9014000     -0.8141000    
 H   -3.115600       1.437000      0.8545000    
 H   -2.084800     -0.7258000       1.517200    
 H   -1.873600      -2.568500     -0.1382000    
 H   -2.455100      -1.513400      -1.414300    
 H  -0.4228000      0.7842000       1.804400    
 H   0.5800000       1.971300      0.9593000    
 H  -0.9401000       2.451400       1.715300    
 H   -1.913900       3.461900     -0.2684000    
 H  -0.3677000       3.199700      -1.092000    
 H   -1.875600       2.652400      -1.838800    
 H   0.5157000      -2.570400      0.4338000    
 H   0.2604000      -1.085000       1.297200    
 H   -4.545300     -0.5341000       1.522700    
 H   -4.616300      -1.093000     -0.1575000    
 H   -4.036400      -2.179600       1.116700    
 H    4.183000      0.3911000       1.730700    
 H    4.395000     -0.5788000      0.2740000    
 H    4.763900       1.863800     -0.1952000    
 H    3.329200       1.290400      -1.073100    
 H    3.128400       2.225700      0.4030000    


%chk=000122545-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122545

0 1
O 2.632291 -0.414184 1.003556
O 2.502745 -1.196776 -1.191176
C -1.337704 1.445728 -0.249541
C -0.483597 -1.012360 -0.819051
C -0.542538 0.495377 -1.201670
C -2.719165 0.802741 0.081171
C -2.637773 -0.661189 0.581802
C -1.903257 -1.531977 -0.468777
C -0.561467 1.770249 1.057791
C -1.573482 2.785381 -0.999346
C 0.537778 -1.371909 0.299500
C -4.043795 -1.224251 0.883583
C 1.961792 -1.002887 -0.076514
C 4.052675 -0.006122 0.765376
C 4.116011 1.395114 0.150111
H -0.130389 -1.551406 -1.721349
H 0.483394 0.890163 -1.346047
H -1.031064 0.547732 -2.197297
H -3.346569 0.816406 -0.836887
H -3.243990 1.429172 0.832024
H -2.057733 -0.681620 1.528563
H -1.846783 -2.582728 -0.117097
H -2.516968 -1.541884 -1.394666
H -0.484883 0.906398 1.738831
H 0.467875 2.108441 0.833936
H -1.073537 2.581436 1.610196
H -2.164280 3.486495 -0.379144
H -0.612962 3.277815 -1.245477
H -2.123609 2.621864 -1.945619
H 0.515361 -2.472323 0.440942
H 0.294874 -0.917354 1.271161
H -4.569684 -0.609062 1.637760
H -4.666016 -1.238435 -0.032625
H -3.988547 -2.260372 1.268021
H 4.504066 -0.038962 1.769920
H 4.528170 -0.754120 0.106464
H 5.169944 1.719054 0.064008
H 3.671927 1.397240 -0.859406
H 3.580790 2.126216 0.780972


