%chk=000114104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114104

0 1
 S   0.4861000       1.052400     -7.8299999E-02
 P    2.263500     -5.4099999E-02 -6.4700000E-02
 O    2.400400     -0.8311000       1.353100    
 O    3.516800      0.9737000      7.7999998E-03
 O    2.341500     -0.9822000      -1.246400    
 N   -4.631300      9.6600004E-02  1.7500000E-02
 C   -2.210000      0.4869000     -1.7899999E-02
 C  -0.8398000     -0.1868000     -1.3800000E-02
 C   -3.327200     -0.5554000      4.2900000E-02
 H   -2.323800       1.093000     -0.9263000    
 H   -2.296200       1.165300      0.8411000    
 H  -0.7362000     -0.8511000     -0.8778000    
 H  -0.7093000     -0.7865000      0.8926000    
 H   -3.242800      -1.152700      0.9570000    
 H   -3.255200      -1.242600     -0.8070000    
 H   -4.714900      0.6624000     -0.8263000    
 H   -4.703800      0.7475000      0.7987000    
 H    3.126600      -1.480700       1.466900    
 H    4.425100      0.6183000     -9.6699998E-02


%chk=000114104-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114104

0 1
S 0.579791 1.174333 -0.138222
P 2.390718 -0.156136 -0.128349
O 2.101618 -0.985442 1.366646
O 3.626622 0.998612 0.264078
O 2.784650 -1.110197 -1.345676
N -4.663883 0.084408 0.060245
C -2.147284 0.535806 -0.037510
C -0.781556 -0.167847 -0.014588
C -3.317376 -0.496752 0.083869
H -2.268097 1.107182 -0.978332
H -2.219109 1.257764 0.799241
H -0.661268 -0.848997 -0.873297
H -0.607655 -0.712401 0.926794
H -3.198523 -1.067036 1.025145
H -3.238695 -1.230777 -0.741142
H -4.945811 0.505016 -0.828244
H -4.907524 0.662383 0.867915
H 2.674701 -1.783822 1.510382
H 4.368183 1.006805 -0.396555


