%chk=000069961.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069961

0 1
 S   -2.506500      0.1795000      0.1589000    
 O   -2.556700     -0.2013000       1.560200    
 O   -2.607400       1.575100     -0.2323000    
 O    2.785200       1.613600     -0.2845000    
 O    3.621500     -0.2669000      0.6710000    
 N    1.625800      -1.799700     -0.1763000    
 C   0.2101000      0.1910000      3.8500000E-02
 C   -1.027900     -0.4845000     -0.5411000    
 C    1.509000     -0.3892000     -0.5369000    
 C   -3.795100     -0.7089000     -0.6851000    
 C    2.742200      0.2914000      2.7700000E-02
 H   0.2115000      0.1046000       1.133400    
 H   0.1674000       1.267400     -0.1708000    
 H   -1.036000      -1.558700     -0.3329000    
 H   -1.078100     -0.3314000      -1.623700    
 H    1.532500     -0.2965000      -1.628000    
 H   -3.717900     -0.5092000      -1.755400    
 H   -3.680900      -1.774800     -0.4796000    
 H   -4.756400     -0.3553000     -0.3064000    
 H    1.643700      -1.905800      0.8372000    
 H    2.503700      -2.180000     -0.5273000    
 H    3.589300       2.047300      7.2700001E-02


%chk=000069961-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000069961

0 1
S -2.570441 0.344334 0.012762
O -2.223378 0.272695 1.614180
O -3.272460 1.670507 -0.639827
O 3.138894 1.400163 -0.209793
O 3.304654 -0.400223 1.254760
N 1.298975 -1.828774 -0.255173
C 0.274370 0.437188 -0.125973
C -0.913274 -0.017040 -0.967864
C 1.539045 -0.403012 -0.499846
C -3.697209 -1.155380 -0.377975
C 2.742435 0.153713 0.286736
H 0.038543 0.278691 0.947133
H 0.484729 1.509907 -0.268434
H -0.891824 -1.112867 -1.100889
H -1.067740 0.528644 -1.911310
H 1.755441 -0.253558 -1.574151
H -3.826725 -1.190800 -1.468853
H -3.202360 -2.048248 0.028112
H -4.642013 -0.934991 0.137909
H 1.258893 -2.053314 0.746935
H 1.956065 -2.448647 -0.740167
H 3.894382 1.758713 0.331026


