%chk=000171958.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171958

0 1
 S   -3.220700       1.838200      0.2293000    
 O   -3.376300       2.381400      -1.303900    
 O   -4.190500       2.559700       1.038100    
 O   -1.808700       1.848900      0.5735000    
 C    3.340700      0.1550000     -0.5543000    
 C    4.577500     -3.5000000E-02  0.3307000    
 C    2.036400     -0.2830000      0.1157000    
 C    5.888900      0.3344000     -0.3708000    
 C   0.8491000     -0.1425000     -0.8400000    
 C    7.135600      0.1278000      0.5114000    
 C  -0.4611000     -0.5493000     -0.1634000    
 C   -1.642100     -0.4396000      -1.130200    
 C    7.285000      -1.318000      0.9874000    
 C    8.390400      0.5469000     -0.2594000    
 C   -2.943600     -0.8046000     -0.4635000    
 C   -3.714200      0.1602000      0.1703000    
 C   -3.349700      -2.131800     -0.5013000    
 C   -4.914500     -0.2089000      0.7779000    
 C   -4.549900      -2.500700      0.1065000    
 C   -5.332200      -1.539400      0.7460000    
 H    3.264700       1.210500     -0.8434000    
 H    3.477400     -0.4173000      -1.480500    
 H    4.468300      0.5676000       1.240500    
 H    4.605500      -1.084600      0.6429000    
 H    2.122700      -1.326600      0.4414000    
 H    1.866700      0.3237000       1.013200    
 H    5.839300       1.384700     -0.6848000    
 H    5.985600     -0.2631000      -1.286400    
 H   0.7753000      0.8976000      -1.180200    
 H    1.015800     -0.7639000      -1.728200    
 H    7.050300      0.7725000       1.395200    
 H  -0.3701000      -1.600300      0.1462000    
 H  -0.5955000     -3.4000000E-03  0.7715000    
 H   -1.474100      -1.129600      -1.969600    
 H   -1.681200      0.5418000      -1.610700    
 H    8.234100      -1.455900       1.517000    
 H    6.489000      -1.594700       1.685100    
 H    7.264300      -2.018000      0.1455000    
 H    8.536000     -7.3500000E-02  -1.150300    
 H    9.282800      0.4535000      0.3686000    
 H    8.318200       1.591300     -0.5810000    
 H   -2.748800      -2.891100     -0.9939000    
 H   -5.548400      0.5143000       1.282100    
 H   -4.874900      -3.536700      8.2300000E-02
 H   -6.266700      -1.827100       1.218800    
 H   -4.289500       2.346700      -1.674300    


%chk=000171958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171958

0 1
S -3.563856 1.942074 0.231803
O -3.821270 2.253142 -1.588513
O -4.741417 2.676101 1.064524
O -2.023847 2.304563 0.577721
C 3.411302 0.014996 -0.630571
C 4.636024 -0.174890 0.293481
C 2.073519 -0.348587 0.052379
C 5.972067 0.205093 -0.384706
C 0.848417 -0.186417 -0.875438
C 7.220608 0.107262 0.533843
C -0.480848 -0.540956 -0.174196
C -1.701310 -0.400560 -1.128749
C 7.511019 -1.349670 0.969393
C 8.457954 0.717223 -0.167134
C -3.006644 -0.799183 -0.462503
C -3.908562 0.085941 0.170001
C -3.388109 -2.169743 -0.414812
C -5.103896 -0.290279 0.808250
C -4.573964 -2.596531 0.218735
C -5.437281 -1.660451 0.834306
H 3.371568 1.069187 -0.976119
H 3.540458 -0.606331 -1.541798
H 4.503263 0.442368 1.206991
H 4.668541 -1.230393 0.631559
H 2.122073 -1.396620 0.416309
H 1.936684 0.287515 0.951068
H 5.892107 1.245555 -0.764610
H 6.132099 -0.439908 -1.275333
H 0.799141 0.860487 -1.238899
H 0.979931 -0.827229 -1.773112
H 7.013685 0.705081 1.447977
H -0.433396 -1.579145 0.213393
H -0.628529 0.128558 0.693812
H -1.541914 -1.054838 -2.007660
H -1.747372 0.637685 -1.501454
H 8.415814 -1.400074 1.603723
H 6.673883 -1.784450 1.544570
H 7.684075 -1.990969 0.082729
H 8.696247 0.159587 -1.094023
H 9.349590 0.679668 0.486488
H 8.282297 1.773616 -0.444719
H -2.731356 -2.903264 -0.896871
H -5.745262 0.469859 1.265803
H -4.829595 -3.661556 0.229452
H -6.360251 -1.987550 1.322897
H -3.676787 3.232134 -1.742987


