%chk=000050944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050944

0 1
 S    1.677400      -1.644600      8.9299999E-02
 O   -3.621700      0.9499000     -1.8999999E-02
 O    2.609800     -0.7945000      0.8134000    
 O    1.480000      -3.025100      0.5035000    
 O    1.672700       1.797000     -0.8458000    
 O    1.673100       1.687800       1.453500    
 N    2.078200      -1.619000      -1.570500    
 C   0.1182000     -0.8488000      6.3500002E-02
 C   7.1999999E-03  0.5355000      0.1957000    
 C   -1.027600      -1.628200     -9.6000001E-02
 C   -1.249600       1.140100      0.1684000    
 C   -2.395300      0.3605000      8.8000000E-03
 C   -2.284300      -1.023600     -0.1235000    
 C    1.181100       1.382400      0.3607000    
 C   -4.750400      9.3199998E-02 -0.1863000    
 C    2.831300       2.637500     -0.8156000    
 H  -0.9670000      -2.707000     -0.2093000    
 H   -1.343200       2.218900      0.2701000    
 H   -3.131900      -1.688000     -0.2524000    
 H    2.829200     -0.9852000      -1.870200    
 H    2.058100      -2.510600      -2.080400    
 H   -4.725700     -0.4208000      -1.153300    
 H   -5.641800      0.7291000     -0.1853000    
 H   -4.854300     -0.6040000      0.6520000    
 H    3.668600       2.107600     -0.3521000    
 H    2.612100       3.562800     -0.2748000    
 H    3.098500       2.886000      -1.846000    


%chk=000050944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050944

0 1
S 1.740195 -1.553022 -0.059513
O -3.823286 0.898737 0.074549
O 2.710747 -0.810527 1.018678
O 1.467213 -3.148452 0.107847
O 2.040805 1.348688 -0.778244
O 0.873202 2.810521 0.617883
N 2.271041 -1.372215 -1.792217
C 0.042048 -0.704009 -0.122394
C -0.147258 0.698860 -0.039145
C -1.035506 -1.599033 -0.146825
C -1.470410 1.182157 0.038868
C -2.571930 0.291794 0.002957
C -2.356186 -1.106397 -0.095043
C 0.943872 1.725196 0.003155
C -5.010444 0.033407 0.063765
C 3.289010 2.135185 -0.591140
H -0.830981 -2.674584 -0.183719
H -1.648593 2.257256 0.130240
H -3.190782 -1.811805 -0.119363
H 2.518804 -0.384645 -1.961786
H 3.009590 -2.063006 -1.997187
H -5.074114 -0.544651 -0.877739
H -5.863340 0.722740 0.135781
H -5.009877 -0.654458 0.930523
H 3.889106 1.614059 0.172637
H 3.042663 3.158370 -0.267526
H 3.797111 2.138730 -1.566641


