%chk=000027815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027815

0 1
 S   -1.672900       1.251100      -1.372000    
 O    2.218100       2.659000      0.5422000    
 O    3.744400      -2.678800      5.8300000E-02
 O    4.494400     -0.7444000      0.7757000    
 N   0.9648000       2.478200     -1.7100001E-02
 N    2.935800       1.476200      0.5932000    
 N    3.589400      -1.445200      0.2528000    
 C   0.8844000       1.177200     -0.3229000    
 C  -0.1731000      0.4608000     -0.9129000    
 C    2.137200      0.5403000      6.4999998E-02
 C    2.373200     -0.8338000     -0.1245000    
 C   8.3700001E-02 -0.9105000      -1.093100    
 C    1.303700      -1.530700     -0.7154000    
 C   -2.879800      0.3672000     -0.3853000    
 C   -2.775400      0.3777000       1.000800    
 C   -3.910700     -0.3214000      -1.014000    
 C   -3.714800     -0.3103000       1.768900    
 C   -4.850300      -1.009200     -0.2457000    
 C   -4.752100      -1.003600       1.145700    
 H  -0.6791000      -1.543200      -1.547400    
 H    1.390100      -2.600700     -0.9045000    
 H   -1.978800      0.9164000       1.507400    
 H   -4.001500     -0.3366000      -2.096900    
 H   -3.639400     -0.3049000       2.852400    
 H   -5.658100      -1.549300     -0.7308000    
 H   -5.483700      -1.538900       1.743700    


%chk=000027815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027815

0 1
S -1.599504 1.723768 -0.192145
O 2.774898 2.810282 -0.810283
O 3.543660 -2.832401 -0.003838
O 4.761414 -0.939207 -0.422132
N 1.357067 2.699720 -0.647167
N 3.454751 1.527705 -0.677309
N 3.647662 -1.557524 -0.214523
C 1.156882 1.375330 -0.420771
C -0.099498 0.706624 -0.188919
C 2.430520 0.657579 -0.438145
C 2.415214 -0.761119 -0.215184
C -0.048540 -0.676758 0.020656
C 1.188646 -1.391065 0.006667
C -2.905951 0.454084 0.137106
C -3.287260 0.180109 1.470044
C -3.557292 -0.167366 -0.952425
C -4.333047 -0.740708 1.713333
C -4.602227 -1.086524 -0.699090
C -4.988819 -1.373513 0.631143
H -0.973185 -1.231331 0.201069
H 1.198149 -2.472300 0.174798
H -2.779377 0.680626 2.300616
H -3.256375 0.066564 -1.978562
H -4.634870 -0.956814 2.743477
H -5.112415 -1.570436 -1.538456
H -5.801003 -2.082726 0.823638


