%chk=000158268.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158268

0 1
 S   -2.289500      0.1499000      8.0600001E-02
 O  -0.9057000     -0.6022000     -0.3515000    
 O   -2.521600     -8.0700003E-02   1.494800    
 O   -2.216900       1.506300     -0.4314000    
 N   -3.507300     -0.6741000     -0.8014000    
 C    1.467800      -1.067800     -0.3220000    
 C   0.3345000     -0.1691000      0.2017000    
 C    2.836000     -0.5493000      0.1419000    
 C   0.5590000       1.296100     -0.1756000    
 C    3.047600      0.9140000     -0.2383000    
 C    1.921300       1.798800      0.2851000    
 C    1.274700      -2.522000      0.1161000    
 H    1.440700      -1.058000      -1.420400    
 H   0.2770000     -0.2609000       1.294300    
 H    3.635200      -1.155700     -0.3010000    
 H    2.924500     -0.6546000       1.230900    
 H  -0.1633000       1.949100      0.3188000    
 H   0.4439000       1.437700      -1.257300    
 H    3.104500       1.002500      -1.330200    
 H    4.006600       1.263200      0.1609000    
 H    1.953900       1.818800       1.381600    
 H    2.071800       2.828900     -5.7500001E-02
 H   0.3321000      -2.927700     -0.2652000    
 H    2.084900      -3.152200     -0.2661000    
 H    1.264300      -2.609100       1.207800    
 H   -3.498600     -0.5518000      -1.822100    
 H   -3.698300      -1.645600     -0.5247000    


%chk=000158268-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158268

0 1
S -2.454567 0.183071 0.085085
O -0.867800 -0.479681 -0.644072
O -2.357811 0.008807 1.685052
O -2.875632 1.580906 -0.596346
N -3.552925 -1.032483 -0.560143
C 1.470217 -1.025316 -0.406467
C 0.371398 -0.036240 0.063200
C 2.826522 -0.580301 0.213458
C 0.699268 1.430236 -0.270025
C 3.181673 0.888498 -0.109505
C 2.055852 1.842968 0.350005
C 1.139601 -2.487821 -0.043035
H 1.545216 -0.933202 -1.510088
H 0.213901 -0.161849 1.156064
H 3.619264 -1.260192 -0.155023
H 2.778054 -0.714572 1.314595
H -0.108685 2.091574 0.097006
H 0.736296 1.542435 -1.371161
H 3.333750 0.999733 -1.202660
H 4.137377 1.161179 0.377818
H 1.981068 1.819351 1.456731
H 2.289938 2.886860 0.068978
H 0.202306 -2.817161 -0.521802
H 1.952129 -3.161540 -0.372588
H 1.026650 -2.605749 1.051955
H -3.825993 -0.862652 -1.533111
H -3.337967 -1.992358 -0.274121


