%chk=000006891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006891

0 1
 S   0.3172000       2.285500     -5.2499998E-02
 O    2.391500      -1.483800      -1.002300    
 O   -2.338700      -1.622300     -0.4781000    
 O  -0.7564000      -2.178700       1.065600    
 N   0.8652000     -0.2271000      0.2866000    
 C   -1.106600       1.089800     -0.1655000    
 C    1.334300       1.049300      0.8341000    
 C  -0.4195000     -0.2758000     -0.3816000    
 C    2.709600      0.7271000      0.2339000    
 C    2.058900     -0.5738000     -0.2771000    
 C   -1.917100       1.196600       1.133400    
 C   -1.981300       1.469500      -1.361700    
 C   -1.157100      -1.456300      0.1651000    
 H    1.283800       1.083900       1.926200    
 H  -0.2237000     -0.4670000      -1.445300    
 H    3.505100      0.5593000      0.9653000    
 H    3.071200       1.383500     -0.5620000    
 H   -1.335000      0.8953000       2.011600    
 H   -2.270900       2.220900       1.301400    
 H   -2.807700      0.5594000       1.098900    
 H   -2.394700       2.479200      -1.252600    
 H   -1.420300       1.438500      -2.303000    
 H   -2.829400      0.7843000      -1.465100    
 H   -2.838900      -2.392200     -0.1328000    


%chk=000006891-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006891

0 1
S 0.367838 2.348748 -0.064050
O 2.499826 -1.319255 -1.318625
O -2.318567 -1.797420 -0.576688
O -1.102643 -1.964133 1.400536
N 0.917150 -0.253258 0.189896
C -1.125982 1.099162 -0.164735
C 1.381362 1.007358 0.827974
C -0.434462 -0.328705 -0.361353
C 2.818090 0.717739 0.284144
C 2.164357 -0.489018 -0.458043
C -1.927217 1.197742 1.151453
C -1.986303 1.468678 -1.385694
C -1.268252 -1.438985 0.285065
H 1.240524 1.077965 1.914911
H -0.370875 -0.547814 -1.443541
H 3.566737 0.446351 1.045010
H 3.223562 1.479488 -0.398482
H -1.323854 0.906369 2.028329
H -2.271520 2.234754 1.298133
H -2.819854 0.543358 1.116196
H -2.453519 2.459977 -1.250052
H -1.383606 1.491587 -2.310167
H -2.792505 0.722752 -1.512570
H -2.860787 -2.518339 -0.155146


