%chk=000105869.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105869

0 1
 S  -0.2085000      -1.017100      -2.545900    
 S   0.2091000      0.9962000      -2.545800    
 O   -4.859000      0.1905000     -0.6232000    
 O    4.862300     -0.1879000     -0.6224000    
 O   -4.612800      -1.140700       1.369400    
 O    4.611800       1.149400       1.365500    
 O  -0.1015000      -3.320400       1.163900    
 O   9.3000002E-02   3.310800       1.152100    
 O   0.7557000      -2.611200     -0.7286000    
 O  -0.7623000       2.590700     -0.7371000    
 N  -0.1731000      -2.645600      0.1111000    
 N   0.1669000       2.632400      0.1018000    
 C   -5.472200     -0.2454000      0.6186000    
 C    5.474200      0.2546000      0.6176000    
 C   -5.758800      0.9900000       1.486700    
 C   -6.775700     -0.9901000      0.2898000    
 C    5.765700     -0.9767000       1.490000    
 C    6.775000       1.002800      0.2858000    
 C   -6.806800       1.907400      0.8597000    
 C   -7.824100     -7.2899997E-02 -0.3369000    
 C    6.816800      -1.892400      0.8660000    
 C    7.826500      8.7399997E-02 -0.3380000    
 C   -8.091600       1.150700      0.5349000    
 C    8.098700      -1.132200      0.5381000    
 C   -3.659500     -0.4509000     -0.5752000    
 C    3.660500      0.4493000     -0.5764000    
 C   -3.519000      -1.211000      0.5623000    
 C    3.517600       1.212800      0.5585000    
 C   -2.665700     -0.3802000      -1.529200    
 C    2.666600      0.3717000      -1.529700    
 C   -2.376600      -1.943500      0.8094000    
 C    2.372600       1.942200      0.8034000    
 C   -1.497900      -1.112500      -1.303300    
 C    1.496200       1.100400      -1.306200    
 C   -1.354100      -1.889700     -0.1407000    
 C    1.350000       1.881200     -0.1461000    
 H   -6.092600      0.6725000       2.482900    
 H   -4.834000       1.560000       1.640900    
 H   -6.568600      -1.817200     -0.4008000    
 H   -7.180700      -1.446800       1.202000    
 H    6.098500     -0.6544000       2.485000    
 H    4.843000      -1.549600       1.646300    
 H    6.564700       1.826800     -0.4075000    
 H    7.178600       1.464100       1.196300    
 H   -6.405000       2.356900     -5.6499999E-02
 H   -7.029700       2.732400       1.545700    
 H   -8.756500     -0.6293000     -0.4854000    
 H   -7.487100      0.2511000      -1.329000    
 H    6.416500      -2.346700     -4.8500001E-02
 H    7.042900      -2.714200       1.554900    
 H    8.756800      0.6467000     -0.4886000    
 H    7.490400     -0.2414000      -1.328900    
 H   -8.572400      0.8335000       1.468500    
 H   -8.794600       1.819500      2.5699999E-02
 H    8.578600     -0.8100000       1.470500    
 H    8.804000      -1.800200      3.0999999E-02
 H   -2.814400      0.2204000      -2.420700    
 H    2.817200     -0.2319000      -2.419000    
 H   -2.311700      -2.528300       1.721100    
 H    2.305900       2.529900       1.713000    


%chk=000105869-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105869

0 1
S 0.026704 -1.207322 -3.715296
S -0.024826 1.187284 -3.723532
O -3.632432 -0.124969 0.026788
O 3.632719 0.128745 0.026670
O -4.123675 -2.431683 0.521988
O 4.122218 2.438588 0.509018
O -1.098772 -5.273095 -2.522236
O 1.097929 5.260800 -2.553463
O 0.033903 -3.704446 -3.740002
O -0.033686 3.684622 -3.762458
N -0.841995 -4.041425 -2.818475
N 0.841877 4.027321 -2.842730
C -4.510516 -1.021450 0.900818
C 4.511061 1.030757 0.894760
C -4.162469 -0.765658 2.365828
C -5.973790 -0.769500 0.542476
C 4.165172 0.782290 2.361501
C 5.974186 0.778447 0.535834
C -4.617216 0.649512 2.802529
C -6.416434 0.645469 0.992109
C 4.621979 -0.630129 2.804886
C 6.419057 -0.633605 0.992417
C -6.116014 0.880371 2.492302
C 6.120664 -0.860924 2.494181
C -2.856308 -0.969464 -0.763078
C 2.856852 0.968255 -0.768748
C -3.142387 -2.332279 -0.475252
C 3.142029 2.332869 -0.488640
C -1.919330 -0.584402 -1.720733
C 1.920535 0.577185 -1.724616
C -2.491428 -3.355709 -1.141176
C 2.490956 3.352106 -1.160873
C -1.223105 -1.604280 -2.426118
C 1.224152 1.592622 -2.436208
C -1.526803 -2.970526 -2.123232
C 1.526978 2.960770 -2.141115
H -4.681223 -1.536933 2.967126
H -3.076145 -0.903663 2.512344
H -6.113117 -0.908741 -0.544590
H -6.576946 -1.541533 1.057985
H 4.683844 1.557236 2.958136
H 3.078889 0.919897 2.508634
H 6.111969 0.912027 -0.552153
H 6.577128 1.553945 1.046375
H -4.009485 1.404930 2.268404
H -4.419533 0.776214 3.882922
H -7.495797 0.768829 0.787525
H -5.881169 1.400912 0.385569
H 4.014487 -1.388914 2.275287
H 4.425638 -0.751549 3.886130
H 7.498323 -0.756790 0.787202
H 5.883965 -1.392856 0.390498
H -6.731539 0.190371 3.105798
H -6.405577 1.908903 2.777595
H 6.736092 -0.166955 3.103276
H 6.411738 -1.887590 2.784604
H -1.735592 0.471659 -1.933056
H 1.737251 -0.480172 -1.930846
H -2.675880 -4.415587 -0.958231
H 2.674696 4.413114 -0.983860


