%chk=000143559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000143559

0 1
 S    1.934100      -4.325800     -0.4682000    
 O    2.231700       1.532200     -0.3562000    
 O   -3.241000      0.2769000      0.4575000    
 O    2.340900      0.4812000       1.692100    
 O   -2.472700     -0.1252000      -1.683000    
 N    1.461900      -1.845500      0.6619000    
 C   0.1320000     -0.4599000     -0.8554000    
 C    1.520400     -0.7095000     -0.2642000    
 C  -0.9511000     -0.1910000      0.1890000    
 C    2.068300      0.4788000      0.4987000    
 C   -2.293400     -2.2500001E-02 -0.4764000    
 C    2.769500       2.723300      0.2272000    
 C   -4.562200      0.4857000     -5.1199999E-02
 C    2.887200       3.787000     -0.8434000    
 C   -5.489500      0.8062000       1.101600    
 C    1.664000      -2.891800      0.1701000    
 H   0.1782000      0.3891000      -1.550000    
 H  -0.1589000      -1.328800      -1.460900    
 H    2.236900     -0.9028000      -1.077400    
 H   -1.029800      -1.027000      0.8916000    
 H  -0.7236000      0.7266000      0.7417000    
 H    2.103000       3.072200       1.023900    
 H    3.758600       2.509700      0.6474000    
 H   -4.552400       1.320000     -0.7615000    
 H   -4.905000     -0.4217000     -0.5607000    
 H    3.295500       4.713800     -0.4309000    
 H    3.536400       3.445300      -1.656300    
 H    1.908100       3.998000      -1.286100    
 H   -6.510700      0.9722000      0.7477000    
 H   -5.496100     -1.1600000E-02   1.829800    
 H   -5.149300       1.701600       1.632400    


%chk=000143559-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000143559

0 1
S 1.650930 -4.439345 1.241016
O 2.383795 1.582652 -0.457179
O -3.276567 0.221423 0.411561
O 2.063325 0.418759 1.542190
O -2.698718 -0.084038 -1.824953
N 1.566248 -1.901567 -0.027335
C 0.081165 -0.290467 -1.178446
C 1.514093 -0.633466 -0.661672
C -0.967887 -0.212603 -0.054404
C 2.016997 0.475592 0.297074
C -2.370056 -0.023991 -0.616221
C 2.843496 2.784573 0.305981
C -4.705574 0.388222 0.014055
C 3.189828 3.858193 -0.719713
C -5.490974 0.664790 1.292651
C 1.610594 -2.978398 0.511086
H 0.143126 0.668886 -1.721847
H -0.215662 -1.059466 -1.912823
H 2.190106 -0.631844 -1.539781
H -0.963921 -1.139055 0.552098
H -0.759116 0.608046 0.656262
H 2.029154 3.093595 0.986893
H 3.711439 2.488373 0.922643
H -4.771978 1.218705 -0.712850
H -5.036312 -0.536219 -0.494340
H 3.534781 4.769098 -0.197480
H 3.995314 3.518540 -1.393002
H 2.310244 4.121820 -1.331794
H -6.561649 0.794787 1.050686
H -5.394201 -0.172872 2.004494
H -5.131019 1.583979 1.785950


