%chk=000066427.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066427

0 1
 S   -5.668900      0.1550000      0.7754000    
 O    5.869100       1.689800      0.6458000    
 O    4.128300      -2.652500     -0.2912000    
 O   -4.877700     -0.1684000     -0.6298000    
 O   -7.212400     -0.2737000      0.4615000    
 O   -5.164100     -0.7241000       1.814100    
 O   -5.650200       1.593000      0.9713000    
 C    3.542400      0.8963000      0.2908000    
 C    3.042800     -0.4808000     -0.1958000    
 C    1.532500     -0.6445000      1.0100000E-02
 C   0.7961000      0.4435000     -0.8330000    
 C    5.050600      0.7214000      1.9200001E-02
 C    4.011400      -1.462500      0.4714000    
 C    2.862200       1.978100     -0.5563000    
 C    1.327200       1.865200     -0.5058000    
 C    5.357900     -0.7096000      0.5044000    
 C    1.014900      -2.024600     -0.3998000    
 C    3.285800       1.185800       1.791600    
 C  -0.7200000      0.2888000     -0.7438000    
 C  -0.4615000      -2.156500     -3.7999999E-02
 C   -1.295700     -0.9557000     -0.4082000    
 C   -1.580900       1.349300      -1.078500    
 C   -2.694600      -1.091500     -0.3624000    
 C   -2.968800       1.198600      -1.037900    
 C   -3.526300     -2.0400001E-02 -0.6750000    
 H    3.210500     -0.5574000      -1.283500    
 H    1.292600     -0.5093000       1.072600    
 H    1.037100      0.2602000      -1.891700    
 H    5.245000      0.7787000      -1.059800    
 H    3.689900      -1.733000       1.482400    
 H    3.180200       1.888400      -1.603400    
 H    3.169100       2.978200     -0.2271000    
 H   0.9604000       2.180400      0.4785000    
 H   0.9308000       2.592000      -1.224200    
 H    5.758300     -0.6959000       1.525100    
 H    6.121900      -1.176200     -0.1272000    
 H    1.566200      -2.823400      0.1072000    
 H    1.151700      -2.173100      -1.478600    
 H    3.758700      0.4469000       2.446000    
 H    3.692100       2.165800       2.067800    
 H    2.223000       1.201900       2.046600    
 H  -0.5513000      -2.306100       1.045700    
 H  -0.8623000      -3.052600     -0.5272000    
 H    6.794500       1.438800      0.4842000    
 H    4.440500      -2.415300      -1.181000    
 H   -1.190700       2.314800      -1.386000    
 H   -3.135100      -2.046600     -8.3099999E-02
 H   -3.606100       2.039700      -1.297600    
 H   -7.574500      5.4200001E-02 -0.3950000    


%chk=000066427-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066427

0 1
S -6.045355 0.344537 1.014550
O 5.829396 1.878875 0.626866
O 4.244167 -2.735420 -0.333636
O -4.889583 -0.365029 -0.654403
O -7.472739 0.366065 -0.143724
O -6.453704 -0.634365 2.230603
O -5.571104 1.855174 1.352967
C 3.566385 0.927030 0.263268
C 3.089566 -0.480557 -0.216194
C 1.584143 -0.705393 0.007178
C 0.803180 0.390434 -0.791356
C 5.085920 0.802473 -0.037739
C 4.122458 -1.462298 0.399029
C 2.818389 2.002201 -0.556127
C 1.278595 1.835624 -0.446419
C 5.453646 -0.632627 0.450282
C 1.082313 -2.101190 -0.419007
C 3.362630 1.164545 1.783967
C -0.713371 0.191891 -0.696865
C -0.386134 -2.279834 0.010985
C -1.270371 -1.086875 -0.341964
C -1.602569 1.267621 -1.000195
C -2.667039 -1.238698 -0.296970
C -2.993134 1.115761 -0.962790
C -3.546896 -0.161331 -0.624480
H 3.257586 -0.508564 -1.322272
H 1.359393 -0.583071 1.088431
H 1.069881 0.222496 -1.863886
H 5.234826 0.877432 -1.139695
H 3.816644 -1.794788 1.405313
H 3.117192 1.918105 -1.622931
H 3.107940 3.015521 -0.219907
H 0.934117 2.100105 0.571628
H 0.809169 2.564093 -1.133282
H 5.839088 -0.574201 1.484052
H 6.231217 -1.117913 -0.167690
H 1.710288 -2.891214 0.027397
H 1.176284 -2.205859 -1.519786
H 3.801371 0.358643 2.398343
H 3.863556 2.104103 2.070607
H 2.295787 1.243717 2.050987
H -0.422476 -2.426859 1.110540
H -0.814673 -3.198045 -0.433047
H 6.787946 1.808081 0.391371
H 4.441931 -2.534464 -1.284455
H -1.190037 2.244344 -1.267268
H -3.115830 -2.201288 -0.024753
H -3.669923 1.946588 -1.184669
H -7.047465 0.225523 -1.042053


