%chk=000023831.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023831

0 1
 S   -4.144400     -0.2686000     -6.3900001E-02
 O    6.008100      -1.039500      0.1025000    
 O   -4.666900      -1.667500      0.5924000    
 O   -4.214900     -0.3762000      -1.509700    
 O   -4.760300      0.8378000      0.6459000    
 N  -0.2225000      0.6096000      0.2573000    
 N    2.617800      0.3666000     -0.2250000    
 C   0.3710000     -0.6616000     -0.1752000    
 C   0.5640000       1.740700     -0.2498000    
 C    1.830700     -0.7651000      0.2800000    
 C    2.023500       1.637800      0.2066000    
 C   -1.613900      0.7079000     -0.1790000    
 C    4.008600      0.2685000      0.2133000    
 C   -2.456700     -0.3962000      0.4378000    
 C    4.655700     -0.9941000     -0.3332000    
 H   0.3118000     -0.7746000      -1.266100    
 H  -0.1377000      -1.518300      0.2765000    
 H   0.1502000       2.681800      0.1323000    
 H   0.5227000       1.786700      -1.346600    
 H    1.876200     -0.8198000       1.376200    
 H    2.192800      -1.718000     -0.1163000    
 H    2.580300       2.475300     -0.2310000    
 H    2.077100       1.744500       1.298600    
 H   -1.685800      0.6764000      -1.274100    
 H   -2.026900       1.675400      0.1338000    
 H    4.094400      0.2883000       1.308100    
 H    4.581400       1.131900     -0.1498000    
 H   -2.430500     -0.3610000       1.531700    
 H   -2.146400      -1.389100      0.1009000    
 H    4.643000      -1.004800      -1.428300    
 H    4.193200      -1.910100      3.9900001E-02
 H    6.403400      -1.844600     -0.2734000    
 H   -4.370600      -2.488500      0.1336000    


%chk=000023831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023831

0 1
S -4.302385 -0.316549 -0.088087
O 6.296336 -0.678228 0.181973
O -4.937659 -0.856059 1.595195
O -4.571476 -1.487010 -1.177284
O -4.803473 1.189240 -0.416623
N -0.203585 0.308169 -0.132493
N 2.675836 0.227322 -0.010828
C 0.545283 -0.843096 -0.688766
C 0.591677 1.558625 -0.158002
C 1.876207 -1.020173 0.059968
C 1.920791 1.354262 0.589148
C -1.597278 0.418851 -0.590619
C 4.045936 0.074237 0.535923
C -2.451707 -0.289032 0.475621
C 4.999173 -0.536209 -0.500999
H 0.756826 -0.694427 -1.775418
H -0.062664 -1.760429 -0.581366
H 0.012606 2.361378 0.333744
H 0.814445 1.876333 -1.205117
H 1.659170 -1.304956 1.120633
H 2.444460 -1.846204 -0.403940
H 2.527601 2.274323 0.507085
H 1.699222 1.178354 1.672114
H -1.760503 -0.037268 -1.591980
H -1.898248 1.479079 -0.659370
H 4.071852 -0.550162 1.460459
H 4.435256 1.071536 0.809382
H -2.480171 0.244929 1.436051
H -2.215591 -1.355398 0.608660
H 5.068764 0.139473 -1.377608
H 4.625742 -1.523950 -0.845938
H 6.970091 -1.023290 -0.455243
H -5.924134 -1.002071 1.519723


