%chk=000081831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081831

0 1
 S    3.288600      1.3000000E-02  0.1274000    
 O   -4.251300     -6.3000000E-03 -0.1763000    
 O   -1.753200      -2.440600      0.1340000    
 O   -1.739700       2.444600      0.1376000    
 O    4.369300     -0.2027000      -1.075200    
 O    3.294600      -1.163900      0.9770000    
 O    3.461400       1.346000      0.6756000    
 N  -0.6174000      5.4000001E-03 -0.8327000    
 C   -1.823000      1.9000000E-03  1.1700000E-02
 C   -3.044200      7.6000001E-03 -0.9299000    
 C   -1.801700      -1.251500      0.9133000    
 C   -1.791500       1.253500      0.9142000    
 C   0.5773000      3.9999999E-04 -8.8000000E-03
 C    1.830800     -7.3000002E-03 -0.8679000    
 H  -0.6190000     -0.8159000      -1.437700    
 H   -3.052600      0.9042000      -1.560500    
 H   -3.049100     -0.8620000      -1.596500    
 H   -2.720100      -1.297500       1.512300    
 H  -0.9928000      -1.273600       1.648500    
 H  -0.9922000       1.270000       1.660800    
 H   -2.719200       1.306000       1.496700    
 H   0.6466000     -0.8815000      0.6318000    
 H   0.6572000      0.8870000      0.6247000    
 H    1.868900      0.8674000      -1.525900    
 H    1.867600     -0.9142000      -1.481800    
 H   -4.985600      2.0000001E-03 -0.8136000    
 H   -2.621300      -2.556700     -0.2870000    
 H  -0.9368000       2.401600     -0.4090000    
 H    4.386100      -1.104400      -1.474000    


%chk=000081831-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081831

0 1
S 3.466213 -0.285788 -0.027874
O -4.274785 -0.328612 -0.195217
O -2.579550 -2.329561 0.716300
O -1.315918 2.341392 -0.413319
O 4.369893 0.832964 -1.216943
O 4.021015 -1.798955 -0.179277
O 3.399101 0.392608 1.439986
N -0.624252 -0.286305 -0.731363
C -1.865838 -0.017645 0.070940
C -3.032817 -0.071344 -0.951925
C -2.109681 -1.035748 1.220087
C -1.751064 1.425520 0.639499
C 0.646627 -0.476759 0.007466
C 1.782832 -0.054550 -0.934454
H -0.780317 -1.053093 -1.398980
H -3.084152 0.891360 -1.494102
H -2.868296 -0.896531 -1.675591
H -2.833710 -0.605900 1.940197
H -1.168941 -1.248540 1.754705
H -1.051291 1.456128 1.502521
H -2.742163 1.764641 0.985983
H 0.795639 -1.520175 0.356373
H 0.657444 0.175182 0.897754
H 1.764629 1.015853 -1.187034
H 1.896469 -0.683068 -1.831271
H -5.060176 -0.075749 -0.738455
H -3.522506 -2.178747 0.433966
H -0.740410 1.776716 -1.010267
H 5.343707 0.807205 -0.990905


