%chk=000082418.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082418

0 1
 S   0.4767000       3.293800     -0.9014000    
 P   7.4000000E-03   1.644100      1.3200000E-02
 O   0.9449000      0.3555000     -0.2872000    
 O   -1.490900       1.110300     -0.3153000    
 O   1.4700000E-02   1.732300       1.634300    
 C    2.940800     -0.9669000     -0.2599000    
 C   -3.370900     -0.3672000     -0.2804000    
 C    2.296900      0.3502000      0.1494000    
 C   -1.940900     -0.1359000      0.1871000    
 C    4.395700      -1.047900      0.1933000    
 C   -3.926800      -1.689700      0.2397000    
 C    5.021900      -2.382100     -0.1795000    
 C   -5.369300      -1.896500     -0.1936000    
 H    2.874400      -1.082300      -1.349000    
 H    2.363800      -1.798100      0.1649000    
 H   -4.000000      0.4671000      5.5000000E-02
 H   -3.404300     -0.3454000      -1.376800    
 H    2.828800       1.190900     -0.3066000    
 H    2.322500      0.4662000       1.237700    
 H   -1.899600     -0.1241000       1.280200    
 H   -1.288400     -0.9334000     -0.1820000    
 H    4.455600     -0.9158000       1.279900    
 H    4.973800     -0.2369000     -0.2645000    
 H   -3.875700      -1.710900       1.334600    
 H   -3.315800      -2.521400     -0.1298000    
 H    4.486200      -3.212400      0.2916000    
 H    5.005900      -2.533500      -1.263600    
 H    6.064000      -2.417800      0.1531000    
 H   -6.012700      -1.098300      0.1902000    
 H   -5.452700      -1.910700      -1.285000    
 H   -5.746900      -2.850100      0.1885000    
 H  -0.2033000      0.9353000       2.162100    


%chk=000082418-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082418

0 1
S 0.858132 3.290947 0.277131
P 0.045110 1.531511 0.956311
O 1.087578 0.135043 0.945973
O -1.402755 1.075529 0.161907
O -0.487156 1.391706 2.596546
C 3.160690 -0.984107 0.359185
C -3.285476 -0.342272 -0.380744
C 2.087421 -0.020496 -0.150088
C -2.180332 -0.112456 0.649554
C 4.250851 -1.241520 -0.709291
C -4.184665 -1.541701 0.007216
C 5.348503 -2.202748 -0.204225
C -5.311396 -1.783066 -1.020567
H 2.685465 -1.941246 0.647750
H 3.621308 -0.561295 1.272433
H -3.896884 0.576174 -0.462563
H -2.828386 -0.516805 -1.373312
H 1.570160 -0.424691 -1.041491
H 2.514082 0.971650 -0.398400
H -2.584793 0.124904 1.649502
H -1.499745 -0.982253 0.727620
H 4.711347 -0.277899 -1.006985
H 3.783267 -1.661345 -1.622866
H -4.628596 -1.362888 1.007380
H -3.564417 -2.456584 0.097927
H 5.853262 -1.792286 0.690207
H 4.920734 -3.184711 0.072028
H 6.118550 -2.374866 -0.978023
H -5.964122 -0.894607 -1.108271
H -4.895055 -1.994025 -2.023341
H -5.944262 -2.640978 -0.728984
H 0.217382 1.565780 3.270680


