%chk=000001785.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001785

0 1
 S  -0.8168000       1.803500      -1.575200    
 O   0.2864000      -1.859000     -0.3962000    
 O    5.556300       1.284900     -0.2593000    
 O  -0.2006000      -1.298700       1.783400    
 N   -2.919800     -0.3301000     -0.5026000    
 N    1.175700      -3.112500       1.325300    
 C   -1.873100      -1.093700      -1.027900    
 C   -2.863400      0.9299000      0.1682000    
 C  -0.4956000     -0.7907000     -0.8124000    
 C   5.6400001E-02  0.4145000      -1.032300    
 C   -1.935100       1.925000     -0.1864000    
 C   -4.098100      -1.027100     -0.7280000    
 C   -2.435400      -2.199800      -1.649000    
 C    1.496800      0.6419000     -0.8304000    
 C   -3.827500      -2.157400      -1.459400    
 C   -3.791600       1.184900       1.193100    
 C   -1.938400       3.144600      0.5114000    
 C   -3.776100       2.399400       1.879600    
 C   -2.847600       3.376700       1.542500    
 C    2.388300      0.4442000      -1.883900    
 C    1.967700       1.055600      0.4152000    
 C    3.752800      0.6602000      -1.691700    
 C    3.332300       1.271700      0.6075000    
 C    4.224900       1.074100     -0.4461000    
 C   0.3669000      -2.025800      0.9684000    
 C    1.413900      -3.475100       2.719000    
 C    1.829700      -3.948400      0.3281000    
 C    5.971100       1.707200       1.039100    
 H   -5.053400     -0.6406000     -0.3980000    
 H   -1.879800      -2.981100      -2.150800    
 H   -4.557800      -2.876400      -1.802500    
 H   -4.518100      0.4392000       1.505800    
 H   -1.238900       3.937100      0.2521000    
 H   -4.488000       2.579000       2.680000    
 H   -2.836700       4.323900       2.073500    
 H    2.036600      0.1206000      -2.860600    
 H    1.284500       1.216200       1.245900    
 H    4.443300      0.5041000      -2.516000    
 H    3.630600       1.592300       1.599700    
 H    2.487800      -3.421200       2.918600    
 H    1.057500      -4.495900       2.883700    
 H   0.8886000      -2.797900       3.397200    
 H    1.617400      -3.646600     -0.6990000    
 H    1.492200      -4.980200      0.4643000    
 H    2.910700      -3.898700      0.4892000    
 H    5.754300      0.9473000       1.797600    
 H    5.549500       2.684400       1.298100    
 H    7.059100       1.826500       1.008000    


%chk=000001785-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001785

0 1
S -0.920766 1.513475 -1.982929
O 0.478894 -1.903074 -0.219823
O 5.577093 2.105928 -0.217506
O -0.111249 -1.622398 2.050723
N -2.888819 -0.340691 -0.398062
N 0.984586 -3.565192 1.301741
C -1.793420 -1.203241 -0.670944
C -2.856242 1.025245 0.033625
C -0.386998 -0.829898 -0.626358
C 0.190814 0.344607 -1.037736
C -2.019424 1.992615 -0.585466
C -4.070280 -1.092349 -0.464676
C -2.321067 -2.490364 -0.892895
C 1.582713 0.774127 -0.804525
C -3.744474 -2.416627 -0.775384
C -3.712803 1.428305 1.090038
C -2.058453 3.338056 -0.159101
C -3.763735 2.776845 1.496459
C -2.939094 3.739134 0.869659
C 2.314030 1.477371 -1.805971
C 2.223309 0.534041 0.442345
C 3.634131 1.898247 -1.584854
C 3.547321 0.957181 0.680587
C 4.259803 1.636778 -0.339151
C 0.396603 -2.330264 1.144300
C 1.064625 -4.139871 2.653850
C 1.569929 -4.352444 0.205115
C 6.260175 1.880261 1.058314
H -5.038235 -0.613688 -0.334627
H -1.724017 -3.366562 -1.139890
H -4.456614 -3.225779 -0.926804
H -4.313773 0.671037 1.603764
H -1.394799 4.062318 -0.641495
H -4.430701 3.070195 2.314071
H -2.969122 4.786807 1.186502
H 1.837158 1.694676 -2.767965
H 1.664647 0.043893 1.246334
H 4.199026 2.433688 -2.353859
H 4.000360 0.768058 1.658492
H 2.120283 -4.307823 2.942041
H 0.529585 -5.107877 2.693226
H 0.599876 -3.441919 3.365820
H 1.432705 -3.825080 -0.747322
H 1.084904 -5.346282 0.147788
H 2.653468 -4.503653 0.376575
H 6.354333 0.799123 1.279597
H 5.733465 2.383943 1.892193
H 7.259749 2.321121 0.930985


