%chk=000115236.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115236

0 1
 S   -3.548300     -0.4812000     -0.1748000    
 O   0.8300000       2.976500      5.2800000E-02
 O   -1.855400       1.625800      0.7775000    
 O   -3.830400      -1.819400      -1.064000    
 O   -4.011900      0.6777000     -0.9167000    
 O   -3.979100     -0.7297000       1.189400    
 N   0.2699000      0.7072000      0.3872000    
 C    1.024300     -0.4594000     -2.3100000E-02
 C    1.349400      -1.389300      0.9304000    
 C    1.373500     -0.5740000      -1.343800    
 C   0.9625000      -1.252400       2.367400    
 C    1.012100      0.4470000      -2.373700    
 C    2.075000      -2.513100      0.5350000    
 C    2.099000      -1.697800      -1.739100    
 C    1.035100       1.855500      0.9094000    
 C   -1.145000      0.7033000      0.3713000    
 C    2.449800      -2.667300     -0.7998000    
 C   -1.786300     -0.5322000     -0.2337000    
 C    2.018600     -0.5122000       3.181900    
 C    2.078000       1.529000      -2.513400    
 C    1.579200       4.105900      0.4797000    
 H  -7.4000000E-03 -0.7565000       2.481000    
 H   0.8161000      -2.250000       2.802300    
 H   0.8630000     -3.9299998E-02  -3.346400    
 H   5.0900001E-02  0.9206000      -2.150500    
 H    2.357600      -3.276000       1.255800    
 H    2.399800      -1.830500      -2.775100    
 H   0.6509000       2.091400       1.907700    
 H    2.102400       1.613900      0.9476000    
 H    3.015700      -3.541800      -1.107300    
 H   -1.513300     -0.6099000      -1.288700    
 H   -1.481800      -1.431000      0.3084000    
 H    2.982700      -1.030800       3.136000    
 H    1.713600     -0.4722000       4.232900    
 H    2.181100      0.5120000       2.849300    
 H    2.395700       1.945400      -1.557000    
 H    1.711700       2.343300      -3.146500    
 H    2.974800       1.116700      -2.990300    
 H    1.278000       4.406100       1.487800    
 H    2.650900       3.886000      0.4559000    
 H    1.377300       4.932400     -0.2068000    
 H   -3.635500      -1.737900      -2.027200    


%chk=000115236-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115236

0 1
S -3.174238 -0.585373 0.485800
O 1.870469 2.843522 0.449679
O -1.596178 2.287460 0.441383
O -3.117662 -2.213520 -0.431438
O -4.621545 0.085326 0.253368
O -2.615838 -0.796892 1.985684
N 0.309728 0.923957 0.379506
C 0.996164 -0.283351 -0.068314
C 1.175515 -1.353951 0.860265
C 1.491021 -0.359348 -1.405353
C 0.673655 -1.301579 2.299174
C 1.365160 0.778425 -2.411279
C 1.850712 -2.516920 0.412419
C 2.154115 -1.546778 -1.804699
C 1.066032 1.904277 1.206707
C -1.023227 1.211181 0.089257
C 2.334542 -2.618879 -0.907511
C -1.802926 0.153114 -0.682441
C 1.824683 -1.210992 3.337177
C 2.705464 1.538671 -2.603633
C 1.111558 3.958532 -0.143510
H -0.027674 -0.462682 2.440600
H 0.085713 -2.216028 2.504281
H 1.041579 0.364160 -3.386237
H 0.591692 1.500302 -2.095959
H 1.979232 -3.354619 1.108089
H 2.527714 -1.623544 -2.832886
H 0.328626 2.434263 1.839364
H 1.790902 1.340660 1.811043
H 2.841765 -3.531966 -1.237777
H -2.406040 0.600335 -1.485512
H -1.245203 -0.735479 -1.003460
H 2.507473 -2.076404 3.258239
H 1.414877 -1.192832 4.363070
H 2.432367 -0.298164 3.196871
H 3.014976 2.008325 -1.654395
H 2.597264 2.328015 -3.370266
H 3.506634 0.851590 -2.931066
H 0.490421 3.620640 -0.994424
H 0.451963 4.432734 0.607705
H 1.868370 4.676776 -0.494950
H -3.885656 -2.771163 -0.115772


