%chk=000079776.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079776

0 1
 S    1.343600     -3.5999999E-03 -0.5809000    
 O    1.678300      -1.266600      -1.223100    
 O    1.705900       1.252200      -1.223600    
 N    4.688100      1.2000001E-03  0.6792000    
 C  -0.3728000     -1.0000000E-03 -0.2612000    
 C   -1.058200       1.207800     -0.1401000    
 C   -1.058800      -1.208000     -0.1272000    
 C   -3.115500      2.4999999E-03  0.2489000    
 C    2.093200      4.9000001E-03   1.032000    
 C   -2.429600       1.209600      0.1151000    
 C   -2.430200      -1.206400      0.1278000    
 C   -4.581900      4.1999999E-03  0.5203000    
 C    3.537900      3.1000001E-03  0.8326000    
 H  -0.5425000       2.159200     -0.2349000    
 H  -0.5443000      -2.161100     -0.2110000    
 H    1.761300      0.9026000       1.559800    
 H    1.760100     -0.8866000       1.569400    
 H   -2.952600       2.157800      0.2067000    
 H   -2.953700      -2.153300      0.2297000    
 H   -4.875900     -0.8718000       1.108600    
 H   -4.876600      0.8889000       1.094900    
 H   -5.138400     -3.4000000E-03 -0.4221000    


%chk=000079776-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079776

0 1
S 1.399187 -0.004371 -0.725158
O 1.761864 -1.440645 -1.405909
O 1.764163 1.425022 -1.419141
N 4.876020 0.004258 0.922014
C -0.443765 -0.001200 -0.282768
C -1.092721 1.237655 -0.163627
C -1.093948 -1.238043 -0.150292
C -3.182702 0.003279 0.288921
C 2.243311 0.003197 1.108410
C -2.475001 1.225126 0.129709
C -2.476168 -1.220944 0.142957
C -4.674868 0.005366 0.566429
C 3.684869 0.004125 1.008140
H -0.546007 2.173041 -0.324190
H -0.548263 -2.175682 -0.300853
H 1.839270 0.919109 1.565801
H 1.840882 -0.910258 1.572153
H -3.010910 2.175998 0.226764
H -3.013025 -2.170187 0.250191
H -4.983178 -0.883381 1.143454
H -4.983599 0.903548 1.128377
H -5.248011 -0.002812 -0.380483


