%chk=000157099.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157099

0 1
 S  -0.2233000      0.2909000       1.522400    
 O  -0.6589000     -0.6816000       2.514200    
 O   0.2655000       1.590300       1.959200    
 O   0.4331000       1.870200      -1.616600    
 O    1.951400       2.652800     -0.1169000    
 O   -4.092200      0.6957000     -0.3278000    
 N   -1.484800      0.5296000      0.3959000    
 N   -4.107100      -1.388200      -1.297700    
 C    1.024700     -0.4393000      0.5351000    
 C    1.702700      0.2950000     -0.4379000    
 C    1.336300      -1.783700      0.7374000    
 C   -2.064200     -0.6211000     -0.3119000    
 C    2.692100     -0.3152000      -1.208800    
 C    2.325800      -2.393900     -3.3599999E-02
 C    3.003700      -1.659700      -1.006700    
 C    1.404300       1.700700     -0.6794000    
 C   -3.509000     -0.3424000     -0.6269000    
 H   -1.532000       1.430600     -9.6400000E-02
 H   0.8251000      -2.383900       1.484100    
 H   -1.519900     -0.7817000      -1.247800    
 H   -2.011000      -1.525400      0.3021000    
 H    3.227500      0.2460000      -1.970500    
 H    2.568000      -3.441100      0.1229000    
 H    3.773800      -2.135100      -1.607200    
 H   -3.605500      -2.237700      -1.536800    
 H   -5.081400      -1.339900      -1.576500    
 H   0.2368000       2.818800      -1.771600    


%chk=000157099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157099

0 1
S -0.313311 0.127288 1.538553
O -0.812746 -1.260204 2.248046
O 0.341370 1.300325 2.433893
O 0.295366 2.333173 -0.343609
O 2.482404 2.713792 -1.018088
O -1.867685 -0.368872 -1.830187
N -1.857770 0.802253 0.715550
N -3.560937 -1.870940 -1.292889
C 0.976053 -0.449950 0.207017
C 1.740858 0.430511 -0.593727
C 1.171603 -1.838782 0.199963
C -2.852577 -0.235544 0.422192
C 2.750891 -0.139862 -1.414342
C 2.166023 -2.384615 -0.643879
C 2.959549 -1.533008 -1.444499
C 1.589646 1.912753 -0.666669
C -2.705252 -0.829745 -0.999239
H -1.511474 1.306804 -0.125776
H 0.568421 -2.467038 0.863891
H -2.767943 -1.027721 1.193301
H -3.855360 0.223241 0.530343
H 3.356772 0.539029 -2.023121
H 2.325939 -3.467640 -0.659282
H 3.738824 -1.952664 -2.088494
H -4.209110 -2.250133 -0.604047
H -3.529629 -2.286008 -2.224200
H 0.261575 3.324256 -0.278400


