%chk=000178989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178989

0 1
 S    2.367400      0.6863000      -1.819000    
 O   -2.672400       1.637900      0.7003000    
 O   -3.763700     -0.5902000     -0.5527000    
 O    4.316500     -0.4545000       1.414300    
 O    5.050000      0.4625000     -0.5224000    
 C   0.2986000     -0.4529000      0.2941000    
 C   -1.884200      0.5808000      0.3580000    
 C   -2.432000     -0.5376000     -0.2705000    
 C  -0.5188000      0.6232000      0.6403000    
 C  -0.2494000      -1.571100     -0.3343000    
 C   -1.614700      -1.613600     -0.6166000    
 C    1.722100     -0.4095000      0.5890000    
 C    2.694700      5.9599999E-02 -0.2293000    
 C   -2.828600       2.670900     -0.2706000    
 C   -4.616600      -1.144900      0.4467000    
 C    4.131000      5.2999999E-02  0.1727000    
 H  -9.9799998E-02   1.498700       1.132100    
 H   0.3743000      -2.418300     -0.6098000    
 H   -2.034600      -2.487500      -1.107100    
 H    1.963900     -0.8002000       1.574700    
 H   -3.286900       2.276100      -1.182900    
 H   -1.861500       3.128000     -0.5031000    
 H   -3.486500       3.437600      0.1476000    
 H   -4.557400     -0.5618000       1.371100    
 H   -4.349600      -2.188300      0.6426000    
 H   -5.645000      -1.110600      7.6899998E-02
 H    3.622100      0.9921000      -2.181200    
 H    5.262400     -0.4529000       1.674100    


%chk=000178989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178989

0 1
S 3.058688 -1.708412 -1.609416
O -2.775370 1.301677 1.275317
O -3.756492 -0.496910 -0.836043
O 4.257074 0.778063 1.371979
O 5.416034 -0.601223 -0.085747
C 0.427046 -0.118874 -0.064959
C -1.901420 0.534673 0.467423
C -2.387735 -0.346769 -0.546378
C -0.521020 0.623544 0.704923
C -0.075628 -0.951195 -1.113389
C -1.459336 -1.058281 -1.340158
C 1.834165 0.052879 0.281939
C 2.983719 -0.505060 -0.237440
C -3.526786 2.345194 0.536072
C -4.606424 -0.958958 0.290590
C 4.310241 -0.145016 0.318896
H -0.182903 1.296302 1.501337
H 0.605089 -1.525591 -1.745184
H -1.853384 -1.709289 -2.126867
H 2.020020 0.750640 1.109135
H -4.126131 1.901279 -0.279670
H -2.825728 3.093468 0.120964
H -4.182248 2.817953 1.282917
H -4.491244 -0.303222 1.170980
H -4.336549 -1.997837 0.556522
H -5.637246 -0.924178 -0.092246
H 4.448328 -1.787046 -1.553509
H 5.186542 0.954991 1.677014


