%chk=000104371.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104371

0 1
 S    4.371500      0.2400000     -5.5700000E-02
 O    4.739700       1.162700      -1.349400    
 O    5.061900      -1.031100     -0.1773000    
 O    4.481500       1.052100       1.142300    
 O   -5.727000      0.2358000     -0.3306000    
 N  -0.2157000     -3.1500001E-02  0.3619000    
 C    2.025100     -0.9993000      0.5324000    
 C   0.5516000      -1.246600      0.2247000    
 C    2.661800       0.000000     -0.4244000    
 C   -1.589100      3.4699999E-02  0.1896000    
 C   -2.332100      -1.114500     -0.1385000    
 C   -2.277100       1.253600      0.3373000    
 C   -3.714300      -1.047200     -0.3130000    
 C   -3.659500       1.320900      0.1629000    
 C   -4.378200      0.1704000     -0.1621000    
 H    2.559900      -1.955500      0.4818000    
 H    2.130500     -0.6378000       1.563200    
 H   0.4584000      -1.643900     -0.7932000    
 H   0.1824000      -2.006900      0.9234000    
 H    2.598400     -0.3726000      -1.452300    
 H    2.183900      0.9825000     -0.3743000    
 H   0.2527000      0.8148000      0.6661000    
 H   -1.856500      -2.083100     -0.2671000    
 H   -1.732100       2.160500      0.5902000    
 H   -4.269300      -1.946500     -0.5663000    
 H   -4.164700       2.275400      0.2834000    
 H    4.762500      0.6905000      -2.214900    
 H   -6.018300       1.153000     -0.1885000    


%chk=000104371-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104371

0 1
S 4.305938 0.303094 -0.288767
O 4.364122 1.229039 -1.904372
O 5.425513 -0.865645 -0.287079
O 4.248314 1.344872 0.949658
O -5.731635 0.388192 -0.602873
N -0.201605 -0.100233 0.574998
C 2.047914 -1.130014 0.623125
C 0.522351 -1.371356 0.526165
C 2.554489 -0.403908 -0.625805
C -1.583721 0.006474 0.302695
C -2.353196 -1.090572 -0.181363
C -2.239334 1.255754 0.491412
C -3.722602 -0.936135 -0.479615
C -3.610219 1.407069 0.204498
C -4.356592 0.309497 -0.288679
H 2.565129 -2.097700 0.745954
H 2.261419 -0.525221 1.527501
H 0.288199 -1.884790 -0.427054
H 0.224458 -2.065897 1.345092
H 2.707271 -1.047673 -1.505227
H 1.964562 0.490165 -0.880372
H 0.187896 0.608761 1.200530
H -1.896285 -2.075133 -0.319901
H -1.668313 2.117450 0.858745
H -4.313193 -1.778420 -0.852415
H -4.090561 2.381940 0.361090
H 5.262542 1.660987 -1.983314
H -6.074959 1.299801 -0.433028


