%chk=000111475.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111475

0 1
 S   -4.143000       2.521200      0.5301000    
 S  -0.9610000      -2.863200      0.6059000    
 O   -2.503100     -0.2681000      0.1759000    
 O  -1.5900001E-02  0.7495000     -0.6006000    
 O   -2.693400      -1.768600      -1.667400    
 O   -3.789900       3.786000       1.497100    
 O  -0.9826000      -4.316800       1.344100    
 O   -4.849000       3.010000     -0.6393000    
 O   -4.673200       1.443700       1.344000    
 O  -0.4917000      -3.036200     -0.7551000    
 O  -0.3638000      -1.891300       1.501200    
 C   -2.423500      0.8284000     -0.7363000    
 C    4.839900      0.4776000      0.1282000    
 C    6.239200      0.3221000     -0.4787000    
 C    3.719500      0.4829000     -0.9133000    
 C   -3.126600      -1.444500     -0.3455000    
 C    7.404000      0.2455000      0.5263000    
 C    2.351000      0.6453000     -0.2531000    
 C   -1.110500      0.7228000      -1.506800    
 C   -2.485100       2.121400      6.4499997E-02
 C    1.225500      0.6086000      -1.277200    
 C   -2.711500      -2.602900      0.5706000    
 C   -4.655800      -1.331800     -0.3204000    
 C    7.446700       1.526100       1.365300    
 C    8.754000      3.2499999E-02 -0.1592000    
 H   -3.253400      0.8076000      -1.451800    
 H    4.668800     -0.3373000      0.8422000    
 H    4.784500       1.414600      0.6933000    
 H    6.250600     -0.5919000      -1.087000    
 H    6.416000       1.152400      -1.175000    
 H    3.746500     -0.4546000      -1.481600    
 H    3.884600       1.299000      -1.626800    
 H    7.229900     -0.6026000       1.200400    
 H    2.306400       1.589500      0.3037000    
 H    2.190500     -0.1479000      0.4879000    
 H   -1.023800       1.566900      -2.202000    
 H   -1.053800     -0.1964000      -2.094000    
 H   -2.116300       2.971500     -0.5189000    
 H   -1.907500       2.036900      0.9916000    
 H    1.346100       1.425700      -1.998100    
 H    1.242800     -0.3455000      -1.817000    
 H   -3.023600      -2.427600       1.605800    
 H   -3.153000      -3.539200      0.2098000    
 H   -5.124100      -2.242600     -0.7094000    
 H   -5.024400      -1.148600      0.6936000    
 H   -5.005200     -0.5056000     -0.9480000    
 H    7.507000       2.417800      0.7322000    
 H    8.320600       1.524800       2.026300    
 H    6.565400       1.616700       2.007200    
 H    8.991300      0.8620000     -0.8338000    
 H    9.559300     -4.7899999E-02  0.5785000    
 H    8.745600     -0.8906000     -0.7481000    
 H   -3.298300      -1.348500      -2.301600    
 H   -3.468700       4.596100       1.035700    
 H   -1.293500      -5.070400      0.7892000    


%chk=000111475-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111475

0 1
S -4.076225 2.399345 0.745056
S -0.719070 -2.680915 0.123808
O -2.462008 -0.287392 0.057516
O -0.022986 1.128115 -0.984117
O -3.302682 -1.745433 -1.702861
O -3.888135 4.249856 0.695822
O -0.773845 -4.552678 0.222802
O -5.228535 1.954134 -0.311941
O -4.221252 1.920048 2.281415
O -0.222794 -2.270169 -1.356995
O 0.105394 -2.132172 1.398834
C -2.412943 0.839449 -0.896790
C 4.810191 0.589784 0.170701
C 6.223841 0.192720 -0.311404
C 3.736582 0.448713 -0.932360
C -3.310265 -1.455823 -0.278302
C 7.315868 0.200624 0.792583
C 2.325323 0.851943 -0.447221
C -1.172117 0.757412 -1.803956
C -2.336851 2.098309 -0.041008
C 1.271570 0.699162 -1.546638
C -2.634943 -2.622998 0.438287
C -4.743839 -1.259227 0.252097
C 7.545520 1.614157 1.380070
C 8.642491 -0.377060 0.243344
H -3.319753 0.858653 -1.533958
H 4.525897 -0.042917 1.037351
H 4.813786 1.636636 0.535190
H 6.175014 -0.825695 -0.751921
H 6.538778 0.871967 -1.132827
H 3.718429 -0.601608 -1.291053
H 4.025873 1.072422 -1.804705
H 6.965978 -0.460022 1.615260
H 2.334371 1.903177 -0.097337
H 2.023860 0.223728 0.412781
H -1.291814 1.460703 -2.660424
H -1.079291 -0.278080 -2.185000
H -2.156505 3.020341 -0.611881
H -1.657155 1.993780 0.815287
H 1.520689 1.327159 -2.431480
H 1.190539 -0.360255 -1.866086
H -2.666840 -2.525518 1.533013
H -2.978228 -3.602782 0.080790
H -5.350650 -2.168408 0.093316
H -4.725886 -1.017215 1.327469
H -5.225042 -0.403852 -0.259236
H 7.860729 2.318498 0.585198
H 8.339992 1.597143 2.149611
H 6.631917 2.019403 1.850597
H 9.026422 0.250348 -0.584681
H 9.421242 -0.412275 1.028156
H 8.503610 -1.402989 -0.146744
H -4.128654 -1.392660 -2.120259
H -4.643052 4.652282 1.213821
H 0.167955 -4.887371 0.215614


