%chk=000086377.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086377

0 1
 S   -1.172800       2.080100      -1.677700    
 S   0.1044000       2.264900       1.574700    
 P  -0.6517000       1.142100      0.1577000    
 O   0.3797000     -7.5099997E-02 -0.1900000    
 O   -1.939100      0.2759000      0.6690000    
 C    2.736100     -0.3690000      0.2675000    
 C    1.682700      0.1986000     -0.6879000    
 C    2.603200      -1.887200      0.4052000    
 C    4.139900     -1.9999999E-04 -0.2072000    
 C   -2.564600     -0.6537000     -0.1995000    
 C   -1.552000      -1.709700     -0.6157000    
 C   -3.765900      -1.266600      0.5041000    
 H    2.581200      6.1900001E-02   1.263800    
 H    1.825800       1.275400     -0.8269000    
 H    1.764100     -0.2691000      -1.675300    
 H    3.368300      -2.283500       1.081300    
 H    2.717400      -2.385200     -0.5637000    
 H    1.626600      -2.163100      0.8157000    
 H    4.897800     -0.3790000      0.4866000    
 H    4.256500       1.087100     -0.2672000    
 H    4.347800     -0.4190000      -1.197700    
 H   -2.936800     -0.1311000      -1.086000    
 H   -2.071900      -2.595600      -1.000600    
 H  -0.9298000      -1.372100      -1.449100    
 H  -0.9273000      -2.041200      0.2197000    
 H   -4.295500      -1.969900     -0.1456000    
 H   -4.465700     -0.4835000      0.8152000    
 H   -3.457700      -1.792500       1.414500    
 H   -2.107000       2.911800      -1.194400    


%chk=000086377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086377

0 1
S -1.400111 1.921478 -1.908060
S -0.128733 2.585594 1.552058
P -0.683402 1.161759 0.179467
O 0.505723 0.023325 -0.373483
O -1.914412 0.111359 0.746973
C 2.871953 -0.425866 0.179270
C 1.909165 0.486823 -0.596021
C 2.745833 -1.897672 -0.269671
C 4.315469 0.102498 -0.009584
C -2.550529 -0.940599 -0.137057
C -1.811219 -2.268483 0.061675
C -4.018135 -0.970396 0.297728
H 2.604596 -0.354599 1.252256
H 2.010815 1.538279 -0.261486
H 2.085514 0.424205 -1.685852
H 3.404237 -2.548143 0.334527
H 3.039068 -2.011839 -1.331694
H 1.708083 -2.256933 -0.159013
H 5.031215 -0.530348 0.545078
H 4.424146 1.139654 0.358867
H 4.609624 0.083907 -1.076752
H -2.464971 -0.592539 -1.186328
H -2.288179 -3.054974 -0.552661
H -0.755008 -2.174670 -0.238856
H -1.855826 -2.577919 1.120503
H -4.567010 -1.731082 -0.287474
H -4.496390 0.010509 0.139240
H -4.095168 -1.229348 1.368072
H -2.042647 3.027523 -1.371219


