%chk=000077278.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077278

0 1
 S    2.679800     -5.2999998E-03  2.0700000E-02
 O    3.012200      7.5199999E-02   1.619500    
 O    3.072600      -1.333100     -0.4283000    
 O    3.225800       1.184100     -0.6143000    
 N   -2.001300      -2.134000     -0.1164000    
 C   -1.836400      0.2956000     -0.2745000    
 C   -3.321600      0.4247000     -0.3738000    
 C   -1.227400     -0.9533000     -0.1512000    
 C   0.9412000      0.1100000     -9.2500001E-02
 C   -1.056600       1.451700     -0.3067000    
 C   0.1614000      -1.046000     -6.0199998E-02
 C   0.3322000       1.358800     -0.2158000    
 C   -3.981700      0.5716000      0.9936000    
 H   -3.567300       1.311200     -0.9741000    
 H   -3.768400     -0.4075000     -0.9284000    
 H   -1.517100       2.431900     -0.3982000    
 H   0.6270000      -2.023200      4.3000001E-02
 H   0.9180000       2.273400     -0.2348000    
 H   -3.797200     -0.3066000       1.621100    
 H   -5.064400      0.6855000      0.8794000    
 H   -3.602700       1.450800       1.525500    
 H   -3.009600      -2.104700     -7.5800002E-02
 H   -1.535700      -3.027100     -1.8300001E-02
 H    2.632300     -0.6514000       2.167300    


%chk=000077278-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077278

0 1
S 2.718434 -0.145652 0.043200
O 2.826040 0.064655 1.890547
O 3.134100 -1.668991 -0.316960
O 3.495696 1.095542 -0.645835
N -2.124185 -2.098162 -0.119844
C -1.898999 0.350574 -0.305406
C -3.407158 0.530940 -0.390274
C -1.323662 -0.958659 -0.154358
C 0.867143 0.071019 -0.083413
C -1.044113 1.474430 -0.350760
C 0.088927 -1.090118 -0.039940
C 0.361178 1.369429 -0.236172
C -4.104946 0.444861 0.996930
H -3.631216 1.516320 -0.837661
H -3.853079 -0.218129 -1.077767
H -1.491641 2.467127 -0.477712
H 0.565370 -2.071306 0.062575
H 1.020482 2.239523 -0.283131
H -3.898849 -0.515148 1.504406
H -5.200033 0.550967 0.892371
H -3.743407 1.250332 1.659861
H -3.132527 -2.036878 -0.214793
H -1.705381 -3.020634 -0.043545
H 3.796929 0.030257 2.134482


