%chk=000112967.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112967

0 1
 S  -0.4500000       3.089200      -1.242500    
 O   0.7269000      0.8515000     -0.3459000    
 O  -0.6815000      -1.413300      -1.701100    
 O   -1.241300     -0.6654000       1.815300    
 O   -2.872700      0.9943000     -0.2371000    
 O    3.164700     -0.2074000      0.1815000    
 O  -0.6335000      -3.487900     -0.6861000    
 O   0.5226000      -1.204200       3.206400    
 O   -4.121500     -0.2605000      -1.721300    
 O    1.483300       3.398400      0.5388000    
 O    4.495400      -1.996300     -0.4241000    
 C   -1.350400     -0.8659000     -0.5661000    
 C  -0.4732000      -1.057300      0.6743000    
 C   -1.632800      0.6229000     -0.8395000    
 C   0.8163000     -0.2093000      0.6171000    
 C  -0.5224000       1.533400     -0.2902000    
 C    2.027000      -1.049200      0.2240000    
 C  -0.3829000      -2.742300      -1.623300    
 C  -0.6149000     -0.7925000       3.022800    
 C   -3.959900      0.2682000     -0.6298000    
 C   0.8772000       3.886400     -0.4074000    
 C   0.3128000      -3.176000      -2.877800    
 C   -1.533700     -0.3472000       4.119700    
 C    4.346600     -0.8111000     -0.1589000    
 C   -4.955300      0.2048000      0.4890000    
 C    1.196300       5.240800     -0.9739000    
 C    5.456700      0.1958000     -0.1638000    
 H   -2.275500      -1.433200     -0.4186000    
 H  -0.2005000      -2.093700      0.8722000    
 H   -1.722800      0.7629000      -1.926200    
 H    1.048500      0.3087000       1.551900    
 H  -0.7384000       1.822100      0.7466000    
 H    2.188300      -1.854000      0.9500000    
 H    1.890100      -1.477900     -0.7730000    
 H   0.5915000      -4.230200      -2.791700    
 H  -0.3588000      -3.059700      -3.732100    
 H    1.223100      -2.588500      -3.021300    
 H   -1.026200     -0.4513000       5.083000    
 H   -1.797900      0.7036000       3.976700    
 H   -2.430300     -0.9720000       4.128400    
 H   -5.294400       1.212700      0.7408000    
 H   -4.503400     -0.2784000       1.359000    
 H   -5.819700     -0.3858000      0.1725000    
 H    2.028100       5.678600     -0.4137000    
 H    1.496900       5.153500      -2.021700    
 H   0.3325000       5.905000     -0.8809000    
 H    6.393000     -0.2973000     -0.4404000    
 H    5.244100      0.9771000     -0.8979000    
 H    5.570400      0.6258000      0.8343000    


%chk=000112967-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112967

0 1
S -0.059548 2.858690 -1.242437
O 1.113037 0.605090 -0.282942
O -0.391409 -1.875171 -1.350610
O -0.904063 -0.622461 2.099157
O -2.559380 0.863931 -0.367313
O 3.628625 -0.542326 0.388426
O -1.488211 -3.799663 -0.610608
O 0.502668 -1.734141 3.587530
O -3.538170 -0.141535 -2.233887
O 0.119421 3.749053 1.363800
O 4.030455 -1.249158 -1.807174
C -1.027032 -1.105601 -0.248382
C -0.100874 -1.194459 0.979871
C -1.241465 0.331982 -0.790890
C 1.224058 -0.395615 0.804522
C -0.181223 1.289898 -0.227860
C 2.376302 -1.328108 0.432570
C -0.744033 -3.240965 -1.443750
C -0.479505 -0.985439 3.393504
C -3.649134 0.567146 -1.211212
C 0.155756 4.082823 0.162234
C -0.111786 -3.853543 -2.668644
C -1.359565 -0.340338 4.435516
C 4.342956 -0.544959 -0.823673
C -4.903880 1.224132 -0.686943
C 0.403308 5.489086 -0.342499
C 5.505728 0.416576 -0.733357
H -1.994436 -1.573413 0.007281
H 0.107502 -2.253444 1.215860
H -1.206476 0.268764 -1.893635
H 1.453860 0.136443 1.749462
H -0.429460 1.607172 0.804605
H 2.503976 -2.089191 1.221453
H 2.205593 -1.798438 -0.551238
H -0.099925 -4.949287 -2.575200
H -0.707280 -3.579821 -3.558763
H 0.907772 -3.463984 -2.820533
H -1.076129 -0.699668 5.434831
H -1.248152 0.757657 4.391774
H -2.420009 -0.569868 4.236980
H -4.776556 2.320593 -0.672889
H -5.095665 0.904014 0.351509
H -5.757845 0.957470 -1.325490
H -0.065439 6.216515 0.340914
H 1.493152 5.679492 -0.343998
H 0.027229 5.634489 -1.368021
H 6.179953 0.266715 -1.588765
H 5.122952 1.452701 -0.747849
H 6.050744 0.278064 0.214763


