%chk=000081899.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081899

0 1
 S  -0.5328000      0.6401000     -0.5496000    
 O    2.923600     -0.9837000      0.1612000    
 O    2.343800       1.184600     -0.1967000    
 N   -2.925700      0.8443000      0.5525000    
 N   -2.368900      -1.275100     -0.3288000    
 C   0.6220000     -0.4066000      0.3627000    
 C    2.028600      3.2900002E-02  7.4400000E-02
 C   -2.090500     -3.6400001E-02 -7.5499997E-02
 H   0.4987000      -1.443800      3.8199998E-02
 H   0.4407000     -0.3349000       1.438500    
 H   -3.847500      0.5625000      0.8681000    
 H   -2.647700       1.804700      0.7220000    
 H    3.838800     -0.6821000     -2.2299999E-02
 H   -1.575900      -1.704600     -0.8164000    


%chk=000081899-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081899

0 1
S -0.518629 0.935017 -0.337274
O 2.986850 -1.011169 0.275212
O 2.506073 1.226086 -0.147572
N -3.094301 0.931896 0.442145
N -2.337151 -1.269175 0.154660
C 0.685127 -0.458011 0.040348
C 2.111096 0.059451 0.035437
C -2.112107 0.011940 0.128969
H 0.601543 -1.258043 -0.715260
H 0.453462 -0.888639 1.029361
H -4.037435 0.581825 0.603078
H -2.867090 1.898968 0.658729
H 3.924588 -0.676645 0.275463
H -1.594825 -1.881600 -0.214996


