%chk=000061938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061938

0 1
 S    2.719100     -8.6599998E-02  0.6423000    
 O    2.975700       1.242800       1.165000    
 O    2.014800      -1.075300       1.437800    
 O   -1.685100      0.6143000     -0.1642000    
 O   -2.612800      -1.488100     -8.7000001E-03
 N  -0.5156000     -0.1083000     -0.4316000    
 N   -3.871300      0.4335000      0.3045000    
 C    1.864900      8.5900001E-02 -0.8991000    
 C   0.4925000      0.6861000     -0.6333000    
 C    1.801700      -1.245000      -1.632100    
 C    4.279600     -0.7898000      0.1645000    
 C   0.3931000       2.193600     -0.5495000    
 C   -2.712000     -0.2658000      3.9700001E-02
 C   -5.144700     -0.1972000      0.5645000    
 H    2.437900      0.7958000      -1.505800    
 H    1.157600      -1.166300      -2.515300    
 H    2.788900      -1.558100      -1.984600    
 H    1.399400      -2.047200      -1.004200    
 H    4.135300      -1.818700     -0.1671000    
 H    4.720100     -0.1764000     -0.6234000    
 H    4.930500     -0.7824000       1.042000    
 H    1.326500       2.664200     -0.8679000    
 H  -0.4101000       2.551600      -1.199300    
 H   0.1863000       2.485600      0.4838000    
 H   -3.827800       1.447900      0.3153000    
 H   -5.061900      -1.286400      0.5444000    
 H   -5.851900      0.1352000     -0.1993000    
 H   -5.493300      0.1306000       1.546900    


%chk=000061938-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000061938

0 1
S 2.951131 0.148298 0.606390
O 3.367819 1.721263 0.813103
O 2.240717 -0.699490 1.807742
O -1.757793 0.570925 -0.197386
O -3.025748 -1.343022 -0.912484
N -0.560066 -0.151050 -0.617362
N -3.916306 0.363810 0.446843
C 1.743218 0.035641 -1.092972
C 0.458185 0.690440 -0.698054
C 1.701958 -1.429901 -1.505797
C 4.575367 -0.776095 0.144907
C 0.404889 2.175351 -0.423499
C -2.941033 -0.278316 -0.276445
C -5.284303 -0.156181 0.533361
H 2.354724 0.691232 -1.735507
H 0.998928 -1.552325 -2.348924
H 2.693904 -1.790013 -1.828893
H 1.320667 -2.060370 -0.684950
H 4.331962 -1.840734 0.035253
H 4.964311 -0.319706 -0.776069
H 5.235573 -0.588719 1.003589
H 1.385416 2.646445 -0.587450
H -0.362635 2.652777 -1.059422
H 0.114595 2.359400 0.626771
H -3.653196 1.212526 0.948490
H -5.339285 -1.072985 -0.074454
H -6.015448 0.574817 0.142313
H -5.550154 -0.408518 1.576208


