%chk=000017308.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017308

0 1
 S   -4.010800      -1.359400     -0.9658000    
 O    3.270100      0.8560000     -0.3031000    
 N    1.642000     -0.7952000      0.1228000    
 C   -1.965100     -3.9600000E-02  0.3318000    
 C   0.4408000     -8.5299999E-02  0.1155000    
 C  -0.7648000     -0.7503000      0.3395000    
 C   -1.959700       1.336000      0.1003000    
 C   0.4460000       1.290300     -0.1161000    
 C   -3.254200     -0.7503000      0.5718000    
 C  -0.7542000       2.000900     -0.1236000    
 C    2.938500     -0.3039000     -8.0499999E-02
 C    3.971500      -1.399100      7.3000002E-03
 H  -0.7698000      -1.823200      0.5195000    
 H   -2.887800       1.901500      9.1100000E-02
 H    1.337600       1.873900     -0.2975000    
 H   -3.103600      -1.601400       1.245700    
 H   -3.969800     -8.7899998E-02   1.072100    
 H  -0.7514000       3.072000     -0.3041000    
 H    1.555000      -1.794000      0.2986000    
 H    3.954800      -1.843200       1.006500    
 H    4.966300     -0.9865000     -0.1820000    
 H    3.759900      -2.169800     -0.7392000    
 H   -5.090900      -1.912200     -0.3946000    


%chk=000017308-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017308

0 1
S -3.823590 -1.571898 -1.099781
O 3.305791 0.843856 -0.168428
N 1.635314 -0.785239 0.114014
C -2.009696 0.016762 0.347659
C 0.446560 0.001858 0.133024
C -0.781495 -0.682793 0.323548
C -2.002876 1.424243 0.175773
C 0.449870 1.413772 -0.030279
C -3.307464 -0.728872 0.551183
C -0.779370 2.105387 -0.007145
C 2.960589 -0.366693 -0.032351
C 3.987947 -1.497922 -0.019483
H -0.787053 -1.774926 0.442954
H -2.949175 1.976805 0.183826
H 1.398132 1.934940 -0.170261
H -3.205245 -1.528978 1.302126
H -4.117517 -0.044156 0.846673
H -0.778013 3.193424 -0.135223
H 1.491194 -1.792398 0.213790
H 4.720099 -1.306247 0.783532
H 4.541573 -1.488482 -0.974310
H 3.552485 -2.501769 0.127792
H -4.947661 -2.211375 -0.592632


