%chk=000016593.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016593

0 1
 S  -5.9000002E-03 -0.8540000     -0.4427000    
 O   7.3000002E-03  -1.967100      0.5574000    
 C    2.697000     -0.3608000     -0.2530000    
 C   -2.698200     -0.3696000     -0.2437000    
 C    3.876600      0.5431000      0.1159000    
 C   -3.876300      0.5425000      0.1097000    
 C    1.341800      0.2851000      7.1999999E-03
 C   -1.342000      0.2766000      1.0200000E-02
 C    5.239600     -8.9199997E-02 -0.1741000    
 C   -5.240400     -0.1142000     -0.1130000    
 C    6.380300      0.8238000      0.2778000    
 C   -6.379500      0.8614000      0.1864000    
 C    7.738300      0.2162000     -3.6200002E-02
 C   -7.738600      0.2061000     -1.9000000E-03
 H    2.774500     -0.6350000      -1.313000    
 H    2.776700      -1.296900      0.3146000    
 H   -2.780100      -1.296100      0.3392000    
 H   -2.776700     -0.6609000      -1.299200    
 H    3.811700      0.7927000       1.182400    
 H    3.792800       1.487600     -0.4360000    
 H   -3.810500       1.456300     -0.4939000    
 H   -3.791400      0.8496000       1.159500    
 H    1.233200       1.194200     -0.5929000    
 H    1.236700      0.5463000       1.065200    
 H   -1.236200      0.5415000       1.067200    
 H   -1.240300       1.186700     -0.5898000    
 H    5.314800      -1.053300      0.3431000    
 H    5.327400     -0.2905000      -1.248500    
 H   -5.316700     -0.4595000      -1.151000    
 H   -5.329100     -0.9984000      0.5296000    
 H    6.307300       1.005300       1.356400    
 H    6.298800       1.796400     -0.2213000    
 H   -6.305700       1.734000     -0.4729000    
 H   -6.296900       1.225300       1.217200    
 H    7.855900      5.3700000E-02  -1.112300    
 H    8.538600      0.8848000      0.2959000    
 H    7.865100     -0.7446000      0.4727000    
 H   -7.857100     -0.6512000      0.6685000    
 H   -8.537800      0.9212000      0.2165000    
 H   -7.866500     -0.1425000      -1.031800    


%chk=000016593-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016593

0 1
S 0.001896 -0.421974 -1.403311
O 0.002352 -1.622281 -0.224733
C 2.739718 -0.084509 -0.741917
C -2.738137 -0.094629 -0.745855
C 3.900937 0.695373 -0.077994
C -3.903259 0.680939 -0.083696
C 1.461228 0.750698 -0.840926
C -1.463120 0.745861 -0.844629
C 5.186745 -0.154515 0.042431
C -5.185815 -0.174037 0.035424
C 6.354116 0.599345 0.719016
C -6.357106 0.575411 0.710064
C 7.631389 -0.259505 0.842645
C -7.631206 -0.288390 0.831984
H 3.052485 -0.426217 -1.749013
H 2.511913 -0.991000 -0.145885
H -2.506925 -0.999549 -0.148720
H -3.048581 -0.438630 -1.752883
H 3.587109 1.027594 0.933407
H 4.121732 1.615780 -0.657970
H -4.127021 1.600221 -0.664325
H -3.592017 1.014824 0.927953
H 1.507887 1.559976 -1.590921
H 1.148882 1.143857 0.142409
H -1.153470 1.141814 0.138439
H -1.512167 1.553692 -1.596000
H 4.961832 -1.075657 0.618657
H 5.503752 -0.488975 -0.967450
H -5.500080 -0.510189 -0.974754
H -4.957987 -1.094041 0.612341
H 6.034923 0.935969 1.726565
H 6.579850 1.518881 0.140768
H -6.585600 1.493905 0.131229
H -6.040781 0.913559 1.718005
H 7.986031 -0.588067 -0.152642
H 8.452285 0.301798 1.325718
H 7.441114 -1.167006 1.446118
H -7.438539 -1.194688 1.436509
H -8.455210 0.270061 1.313070
H -7.982654 -0.619099 -0.163728


