%chk=000105956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105956

1 1
 S   -2.274200      -3.624700      3.6600001E-02
 S    6.479500     -0.1222000     -0.1857000    
 O   -2.375700      -4.116300      -1.519300    
 O  -0.8688000      -3.687500      0.4107000    
 O   -3.278800      -4.344100      0.8040000    
 O    7.117100     -0.1323000       1.319800    
 O    6.586400      -1.479500     -0.7008000    
 O    7.060000      0.9952000     -0.9141000    
 N   0.1471000       1.133500     -0.5458000    
 N   0.7224000       1.104800      0.5656000    
 N   -5.213100       2.499500      0.1408000    
 N   -6.249100       2.806400      0.2711000    
 C   -2.165200      0.4064000     -0.1828000    
 C   -3.525900      0.7543000     -8.8000000E-03
 C   -2.753100      -1.945500      1.9200001E-02
 C   -1.795300     -0.9483000     -0.1665000    
 C   -1.214500       1.423300     -0.3679000    
 C   -4.476600     -0.2626000      0.1762000    
 C   -3.895900       2.109000     -2.5100000E-02
 C   -4.091300      -1.603300      0.1901000    
 C   -1.599900       2.764200     -0.3810000    
 C   -2.937900       3.106400     -0.2097000    
 C    4.786000      0.2391000      3.5799999E-02
 C    2.086100      0.8143000      0.3881000    
 C    4.348400       1.563700      3.0900000E-02
 C    3.870000     -0.7972000      0.2172000    
 C    2.995300       1.852000      0.2076000    
 C    2.516800     -0.5088000      0.3938000    
 H  -0.7569000      -1.235100     -0.3128000    
 H   -5.531300     -3.5799999E-02  0.3112000    
 H   -4.855700      -2.362700      0.3279000    
 H  -0.8634000       3.550600     -0.5255000    
 H   -3.227700       4.153900     -0.2217000    
 H    5.044000       2.387700     -0.1008000    
 H    4.188800      -1.835600      0.2319000    
 H    2.663000       2.886700      0.2049000    
 H    1.810500      -1.322200      0.5373000    
 H   -1.781300      -3.646600      -2.150700    
 H    6.748000     -0.8128000       1.930700    


%chk=000105956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105956

1 1
S -2.856859 -3.629152 -1.322705
S 6.831943 -0.230502 0.203128
O -2.886700 -3.193103 -3.116334
O -1.361102 -4.029501 -0.866754
O -4.140758 -4.538514 -0.963867
O 7.153933 1.424593 -0.548680
O 7.568842 -0.338479 1.635030
O 6.963857 -1.382353 -0.920485
N 0.057390 0.584602 0.369693
N 0.976123 0.960881 1.213981
N -5.104182 2.674964 0.523788
N -6.182357 3.122331 0.551669
C -2.327076 0.254856 0.034210
C -3.676594 0.764981 0.040761
C -3.184010 -1.853563 -0.779333
C -2.094151 -1.083647 -0.402954
C -1.230167 1.099373 0.472465
C -4.758831 -0.071802 -0.358196
C -3.851494 2.142395 0.486226
C -4.519612 -1.389734 -0.769417
C -1.464703 2.447881 0.876730
C -2.760556 2.966945 0.896758
C 4.997374 0.142365 0.480457
C 2.314790 0.635180 0.893639
C 4.098108 -0.205207 -0.549921
C 4.625309 0.712149 1.709313
C 2.733976 0.042477 -0.339354
C 3.255728 0.961468 1.916012
H -1.076755 -1.487049 -0.433243
H -5.788344 0.300831 -0.351325
H -5.338024 -2.052284 -1.067778
H -0.616947 3.064423 1.187174
H -2.947309 3.989417 1.238941
H 4.466632 -0.668862 -1.470523
H 5.376586 0.936334 2.472539
H 1.990732 -0.211683 -1.100636
H 2.890469 1.406059 2.846383
H -2.820403 -4.032494 -3.659871
H 8.122942 1.491324 -0.795121


