%chk=000121697.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121697

0 1
 S   -3.223500      -1.193300      0.6122000    
 O   0.5541000       2.131400      -1.359600    
 O  -0.2947000       2.876800      0.5992000    
 O    2.570900      -1.362600       1.153900    
 N    1.266500     -0.2283000     -0.4032000    
 N    2.780900      -1.820600      -1.085900    
 C   0.5374000      0.6045000      0.5186000    
 C  -0.7286000     -0.1035000       1.020400    
 C   -1.762600     -0.3619000     -7.7900000E-02
 C   0.2368000       1.983100     -5.0900001E-02
 C    2.230100      -1.150000     -8.6000003E-03
 C   -4.167300      -1.375500     -0.9181000    
 H    1.197300      0.7797000       1.378100    
 H   -1.184500      0.5136000       1.806100    
 H  -0.4432000      -1.055100       1.488300    
 H   -2.083500      0.5801000     -0.5331000    
 H   -1.336000     -0.9987000     -0.8594000    
 H    1.056200     -0.1506000      -1.393700    
 H   -3.614900      -1.986600      -1.636600    
 H   -4.380000     -0.3959000      -1.354000    
 H   -5.116800      -1.871200     -0.6989000    
 H   0.3212000       3.023500      -1.694600    
 H    2.486700      -1.631700      -2.038200    
 H    3.498800      -2.525200     -0.9547000    


%chk=000121697-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121697

0 1
S -3.198353 -1.304858 0.640912
O 0.514001 2.146549 -1.412001
O -0.236049 2.938029 0.639243
O 2.282962 -1.499381 1.164250
N 1.320859 -0.173667 -0.499854
N 2.845282 -1.877972 -1.070653
C 0.588806 0.618827 0.491641
C -0.712177 -0.078059 1.013612
C -1.749509 -0.328578 -0.090741
C 0.252035 2.009125 -0.033549
C 2.157832 -1.200926 -0.064750
C -4.255915 -1.433199 -0.910530
H 1.238315 0.749873 1.379869
H -1.145102 0.554146 1.810304
H -0.393344 -1.032648 1.468552
H -2.151619 0.618695 -0.494797
H -1.314414 -0.923861 -0.912844
H 1.302381 0.144901 -1.469172
H -3.715780 -1.979135 -1.701182
H -4.542474 -0.429877 -1.265813
H -5.160576 -1.994600 -0.629393
H 0.267667 3.064816 -1.705251
H 2.745354 -1.675126 -2.062569
H 3.461119 -2.631073 -0.775883


