%chk=000100210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100210

0 1
 S   -3.203600     -6.6100001E-02 -0.3560000    
 O   -1.524000       1.377200       1.696200    
 O   -3.622200      0.2075000      -1.908100    
 O    2.160400      -3.618800      0.2253000    
 O    4.247500       2.304400     -0.6534000    
 O   -3.892400      0.8895000      0.4903000    
 O   -3.263900      -1.492700     -0.1000000    
 N    1.446100     -9.3999999E-03 -2.3300000E-02
 C   0.6404000      0.8935000      0.7876000    
 C  -0.8220000      0.4444000      0.8718000    
 C   -1.506400      0.4129000     -0.4916000    
 C    1.399000      -1.370100      0.5165000    
 C    2.831800      0.4586000     -9.6600004E-02
 C    2.220200      -2.317400     -0.3436000    
 C    2.889200       1.886700     -0.6151000    
 H    1.050900       1.000500       1.801100    
 H   0.5971000       1.902800      0.3662000    
 H  -0.9352000     -0.5179000       1.378800    
 H   -1.024700     -0.2894000      -1.178000    
 H   -1.505600       1.414100     -0.9373000    
 H   0.3843000      -1.780300      0.5157000    
 H    1.750100      -1.410000       1.556500    
 H    3.427600     -0.1284000     -0.8025000    
 H    3.338600      0.3963000      0.8757000    
 H    3.282200      -2.066700     -0.3723000    
 H    1.832000      -2.365000      -1.366600    
 H    2.395900       2.607400      3.9400000E-02
 H    2.470000       1.964400      -1.623800    
 H   -1.106900       1.365400       2.574700    
 H   -3.683000       1.156100      -2.170600    
 H    2.675000      -4.208100     -0.3522000    
 H    4.259200       3.210300      -1.006900    


%chk=000100210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100210

0 1
S -2.578600 0.012468 -0.847066
O -1.582308 1.103844 2.232644
O -1.859396 0.086278 -2.576470
O 1.606788 -3.615020 -0.091878
O 3.797528 2.465408 -1.339748
O -3.991392 0.793885 -0.845854
O -2.515955 -1.522542 -0.326580
N 1.677391 0.063963 0.586620
C 0.794932 0.757486 1.530119
C -0.709117 0.456187 1.246011
C -1.100894 1.021509 -0.103256
C 1.831520 -1.394177 0.792613
C 2.872001 0.809234 0.134611
C 1.308705 -2.207332 -0.404294
C 2.546194 1.760988 -1.028635
H 0.989314 0.470846 2.592774
H 0.957279 1.848996 1.459901
H -0.855919 -0.644406 1.251464
H -0.311963 0.878874 -0.856306
H -1.492633 2.048367 -0.047564
H 1.280336 -1.712871 1.699170
H 2.893518 -1.664882 0.960754
H 3.632412 0.089380 -0.215594
H 3.338344 1.400203 0.953947
H 1.829802 -1.886814 -1.331606
H 0.218702 -2.043607 -0.534065
H 1.752364 2.479709 -0.726343
H 2.177649 1.172366 -1.895374
H -1.545603 0.609653 3.089174
H -2.556560 -0.248551 -3.210210
H 1.141867 -4.203394 -0.736730
H 3.661293 3.065652 -2.114330


