%chk=000081856.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081856

0 1
 S   -6.718500       1.106700     -0.2272000    
 O   -4.180800     -0.4780000      0.4132000    
 O   -2.981800      -2.273600     -0.3980000    
 O   -8.155000       1.597800      0.3689000    
 O   -6.884500      0.7714000      -1.629300    
 O   -5.689400       2.028500      0.2172000    
 C    3.190600      0.2719000      0.1292000    
 C    4.509500     -0.4119000     -0.2358000    
 C    2.001500     -0.6668000     -8.7600000E-02
 C    5.743800      0.4496000      4.8300002E-02
 C    7.101100     -0.2123000     -0.2145000    
 C   0.6782000      2.5300000E-02  0.2455000    
 C    8.292500      0.6786000      0.1463000    
 C  -0.5127000     -0.9052000     -4.9999999E-03
 C    9.644900      5.0299998E-02 -0.2005000    
 C   -1.852600     -0.2323000      0.2924000    
 C    10.83340      0.9404000      0.1282000    
 C   -3.041400      -1.133700      4.1700002E-02
 C   -5.395600      -1.219500      0.2617000    
 C   -6.583100     -0.3873000      0.7054000    
 H    3.218600      0.5892000       1.178600    
 H    3.068500       1.176000     -0.4793000    
 H    4.499500     -0.6844000      -1.298200    
 H    4.598000      -1.348000      0.3296000    
 H    2.117200      -1.559900      0.5384000    
 H    1.986800      -1.002900      -1.131500    
 H    5.676500       1.367000     -0.5502000    
 H    5.712300      0.7650000       1.099200    
 H    7.160000     -0.4876000      -1.274600    
 H    7.164000      -1.145300      0.3588000    
 H   0.6812000      0.3441000       1.294700    
 H   0.5705000      0.9283000     -0.3676000    
 H    8.198400       1.635100     -0.3827000    
 H    8.262500      0.9060000       1.218900    
 H  -0.4114000      -1.805800      0.6137000    
 H  -0.5005000      -1.242300      -1.049200    
 H    9.670000     -0.1889000      -1.270400    
 H    9.752300     -0.8982000      0.3392000    
 H   -1.965600      0.6563000     -0.3390000    
 H   -1.876400      7.6099999E-02   1.344000    
 H    10.86330       1.171300       1.197700    
 H    10.77960       1.883100     -0.4254000    
 H    11.76930      0.4403000     -0.1395000    
 H   -5.341400      -2.126900      0.8741000    
 H   -5.508300      -1.508400     -0.7900000    
 H   -7.510000     -0.9531000      0.5734000    
 H   -6.479600     -9.5600002E-02   1.755400    
 H   -8.143800       1.900400       1.307400    


%chk=000081856-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081856

0 1
S -6.620714 1.269440 -0.261581
O -4.259076 -0.574317 0.698935
O -3.101317 -2.335137 -0.288710
O -8.489065 1.326801 -0.292732
O -6.068181 0.960685 -1.749552
O -6.078365 2.555428 0.550006
C 3.242541 0.151703 0.362778
C 4.574223 -0.420426 -0.172881
C 2.012641 -0.700102 -0.023433
C 5.806029 0.428691 0.213908
C 7.137035 -0.141638 -0.325872
C 0.679648 -0.122775 0.502806
C 8.369827 0.706362 0.060569
C -0.541392 -0.985118 0.115510
C 9.700397 0.136159 -0.481634
C -1.863640 -0.383126 0.628723
C 10.926491 0.989947 -0.091896
C -3.074687 -1.224095 0.280066
C -5.521908 -1.259760 0.344215
C -6.638970 -0.354549 0.808629
H 3.298418 0.235607 1.468539
H 3.107856 1.184980 -0.020473
H 4.518857 -0.502007 -1.278742
H 4.708460 -1.454722 0.207841
H 2.144621 -1.731627 0.364898
H 1.961519 -0.788994 -1.128676
H 5.670983 1.463614 -0.164811
H 5.863534 0.508379 1.319874
H 7.079522 -0.220500 -1.431920
H 7.272045 -1.176974 0.051972
H 0.733086 -0.029098 1.608053
H 0.547453 0.906793 0.108985
H 8.236186 1.742151 -0.316473
H 8.429989 0.784649 1.166556
H -0.421462 -2.009502 0.517222
H -0.590371 -1.091387 -0.985252
H 9.639050 0.057654 -1.586486
H 9.833591 -0.898476 -0.104188
H -2.026268 0.633498 0.220929
H -1.839986 -0.258495 1.730032
H 11.028411 1.057753 1.007861
H 10.831697 2.020775 -0.482840
H 11.863923 0.561640 -0.492287
H -5.583893 -2.234600 0.865022
H -5.552209 -1.443901 -0.744859
H -7.642759 -0.762198 0.619245
H -6.522494 0.019986 1.836051
H -8.769678 2.191633 -0.708328


