%chk=000086999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086999

0 1
 S    2.379400      0.7788000      0.2669000    
 O    2.536700       2.234800      0.1000000    
 O    2.754000      0.3186000       1.616200    
 O   -3.926600      -1.233300      0.6631000    
 O   -4.320100      0.5055000     -0.7469000    
 N    3.063300     -7.6499999E-02 -0.9120000    
 N    2.774500      -1.496100     -0.7564000    
 N    2.563600      -2.557500     -0.6477000    
 C   0.6583000      0.5026000      0.1647000    
 C  -0.1362000       1.335900     -0.6227000    
 C   7.7900000E-02 -0.5510000      0.8707000    
 C   -2.091500      6.1799999E-02  1.8000000E-03
 C   -1.511200       1.115600     -0.7041000    
 C   -1.297000     -0.7715000      0.7893000    
 C   -3.525100     -0.1678000     -8.2999997E-02
 H   0.2948000       2.157100      -1.188500    
 H   0.6759000      -1.215800       1.487800    
 H   -2.112500       1.774800      -1.324600    
 H   -1.707400      -1.603700       1.354400    
 H   -4.894400      -1.380000      0.5987000    


%chk=000086999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086999

0 1
S 2.306843 0.586071 0.342574
O 2.710140 2.092087 -0.096271
O 2.850695 -0.082028 1.720297
O -4.310021 -1.027068 0.741735
O -4.515557 0.731143 -0.765320
N 2.769503 -0.693381 -1.243660
N 3.838231 -1.337871 -0.996367
N 4.823322 -1.988815 -0.833475
C 0.439925 0.382997 0.219451
C -0.256256 1.267660 -0.620318
C -0.158795 -0.629151 0.986436
C -2.304952 0.109405 0.065275
C -1.656558 1.119925 -0.690503
C -1.561057 -0.759054 0.904724
C -3.790350 0.001726 -0.050921
H 0.270995 2.045091 -1.181156
H 0.441732 -1.275980 1.633208
H -2.260563 1.776588 -1.324139
H -2.082717 -1.525751 1.482763
H -5.298159 -1.061293 0.633365


