%chk=000147802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147802

0 1
 S   -2.384500       1.941600       1.027100    
 O   -3.372700      4.3600000E-02  -2.329400    
 O   -5.013000      -1.397800     -0.5595000    
 O   -2.908600      -2.713900       1.011200    
 O   -3.477800       3.017000      0.4772000    
 O   -1.155400       2.635900       1.344000    
 O   -3.030000       1.049200       1.965400    
 C   -2.154300       1.065800     -0.5055000    
 C   -3.467000      0.4137000     -0.9517000    
 C   -1.006300      8.8600002E-02 -0.2824000    
 C   -3.808300     -0.7938000     -8.6099997E-02
 C   -2.700000      -1.843200     -0.1052000    
 C   -1.294000      -1.277300     -4.9899999E-02
 C   0.3588000      0.5330000     -0.3073000    
 C    1.400600     -0.4038000     -7.5199999E-02
 C  -0.2376000      -2.177700      0.1588000    
 C    1.094900      -1.760600      0.1621000    
 C    2.766500     -1.2000001E-03 -8.2900003E-02
 C   0.7519000       1.867400     -0.5600000    
 C    3.108600       1.345700     -0.3284000    
 C    3.796600     -0.9447000      0.1524000    
 C    2.125600      -2.682500      0.3898000    
 C    2.090700       2.267300     -0.5677000    
 C    3.459300      -2.280200      0.3878000    
 C    4.456500       1.735000     -0.3321000    
 C    5.136200     -0.5294000      0.1440000    
 C    5.463200      0.8025000     -9.6400000E-02
 H   -1.868400       1.793100      -1.272600    
 H   -4.294500       1.130500     -0.9087000    
 H   -4.050200     -0.5320000      0.9406000    
 H   -2.781500      -2.458500      -1.010700    
 H  -0.4646000      -3.232400      0.3136000    
 H   2.5300000E-02   2.638500     -0.8019000    
 H   -4.201000     -0.4075000      -2.566300    
 H   -5.710500     -0.7207000     -0.5346000    
 H    1.899900      -3.731400      0.5729000    
 H   -3.797500      -3.097700      0.9189000    
 H    2.322500       3.310200     -0.7741000    
 H    4.231200      -3.024900      0.5700000    
 H   -3.124900       3.707700     -0.1318000    
 H    4.734100       2.770100     -0.5198000    
 H    5.938900      -1.241700      0.3236000    
 H    6.503700       1.113800     -0.1016000    


%chk=000147802-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147802

0 1
S -2.475167 2.163924 1.091669
O -3.734863 -0.085444 -2.362072
O -5.053796 -1.551206 -0.359323
O -2.842595 -3.149084 0.530791
O -2.208329 3.731966 0.028676
O -1.324249 2.147575 2.240549
O -4.025605 2.165505 1.620548
C -2.123280 0.831129 -0.833139
C -3.542628 0.304244 -0.951792
C -1.026971 -0.044655 -0.525231
C -3.753330 -0.918704 -0.037683
C -2.693445 -1.983603 -0.341799
C -1.285574 -1.429177 -0.208591
C 0.336963 0.449805 -0.487699
C 1.404322 -0.456642 -0.151366
C -0.240814 -2.287942 0.136947
C 1.108758 -1.832633 0.170905
C 2.765516 0.000765 -0.116444
C 0.668492 1.829757 -0.745896
C 3.072249 1.375161 -0.413665
C 3.831028 -0.909174 0.223974
C 2.188672 -2.723189 0.515531
C 1.984284 2.268981 -0.719413
C 3.502102 -2.280316 0.537637
C 4.426796 1.812047 -0.379007
C 5.171018 -0.434144 0.246999
C 5.464076 0.913904 -0.054095
H -1.942513 1.757264 -1.388640
H -4.268177 1.097990 -0.679534
H -3.719973 -0.621450 1.028190
H -2.846907 -2.286640 -1.402664
H -0.476543 -3.327268 0.383352
H -0.123140 2.559354 -0.938692
H -4.570648 -0.628410 -2.377901
H -5.772227 -1.113255 0.162205
H 1.947882 -3.763288 0.760755
H -3.785362 -3.447105 0.445682
H 2.210758 3.322568 -0.919314
H 4.314954 -2.967622 0.799390
H -2.336261 4.529880 0.617134
H 4.655949 2.859950 -0.603967
H 5.979842 -1.127588 0.504946
H 6.501137 1.264070 -0.030353


