%chk=000086445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086445

0 1
 S   -1.008300       1.561700     -0.5057000    
 O   -1.203700       2.783400      0.2558000    
 O   -1.350500       1.489800      -1.916600    
 O  -0.8158000      -1.682100      0.3449000    
 O   -2.680700      -1.581900      -1.015000    
 C   -2.038300      0.2552000      0.3116000    
 C   -2.209400      0.5677000       1.752700    
 C   -3.321000      0.8369000      0.7812000    
 C   -1.910100      -1.083400     -0.2057000    
 C   0.6408000       1.034200     -0.2806000    
 C    1.246900      0.2137000      -1.231800    
 C    1.352200       1.433600      0.8508000    
 C  -0.5686000      -3.024900     -8.3800003E-02
 C    2.564600     -0.2074000      -1.051800    
 C    2.669800       1.012800       1.030800    
 C    3.275900      0.1922000      7.9400003E-02
 C   0.6710000      -3.544600      0.6125000    
 C    4.685000     -0.2567000      0.2714000    
 H   -1.718400       1.412900       2.215800    
 H   -2.347300     -0.2580000       2.443900    
 H   -4.191300      0.1913000      0.8334000    
 H   -3.574800       1.866700      0.5643000    
 H   0.7097000     -0.1143000      -2.117200    
 H   0.8989000       2.067600       1.607500    
 H   -1.428400      -3.653900      0.1720000    
 H  -0.4169000      -3.039300      -1.168900    
 H    3.025700     -0.8469000      -1.799800    
 H    3.213900       1.331200       1.916000    
 H   0.8879000      -4.572500      0.3091000    
 H    1.537400      -2.917600      0.3793000    
 H   0.5424000      -3.516000       1.699500    
 H    4.934000     -0.3353000       1.335100    
 H    4.847000      -1.246500     -0.1690000    
 H    5.372900      0.4534000     -0.1981000    


%chk=000086445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086445

0 1
S -0.878140 1.086002 -0.691569
O -1.178302 2.677001 -0.401903
O -1.098543 0.457608 -2.178598
O -1.051580 -1.875560 -0.110906
O -2.930611 -1.946883 1.266834
C -2.050462 0.194674 0.579008
C -2.301371 0.988514 1.875030
C -3.367903 0.958803 0.789791
C -2.073656 -1.296934 0.618671
C 0.912118 0.786827 -0.161975
C 1.626284 -0.250005 -0.780310
C 1.485980 1.681389 0.754926
C -1.051988 -3.376136 -0.162026
C 2.985096 -0.410415 -0.432327
C 2.845061 1.494902 1.092669
C 3.611140 0.452094 0.507440
C 0.105219 -3.790174 -1.063187
C 5.081752 0.289910 0.846603
H -1.749446 1.927285 1.980811
H -2.435475 0.388128 2.778795
H -4.251969 0.331038 0.924271
H -3.487046 1.875509 0.204326
H 1.132334 -0.890996 -1.515797
H 0.899728 2.511514 1.161789
H -0.947214 -3.752602 0.871198
H -2.032427 -3.699422 -0.554251
H 3.570021 -1.209933 -0.901971
H 3.318609 2.175396 1.809733
H 0.129958 -4.891673 -1.148949
H -0.014745 -3.366370 -2.074803
H 1.070922 -3.454238 -0.647987
H 5.305725 0.650545 1.865421
H 5.401642 -0.764255 0.776246
H 5.711788 0.871459 0.146000


