%chk=000005248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005248

0 1
 S    8.070000      0.1042000      0.1002000    
 O    6.556000     -0.5092000      4.9300000E-02
 O    9.021800      -1.214100     -3.0800000E-02
 O    8.258900      0.9004000      -1.098200    
 O    8.297100      0.6905000       1.408000    
 C   -2.201700      0.4086000     -0.1020000    
 C   -3.511600     -0.3854000     -0.1543000    
 C  -0.9521000     -0.4756000     -0.1081000    
 C   -4.797500      0.4485000     -0.1236000    
 C   0.3248000      0.3676000     -7.9300001E-02
 C   -6.071400     -0.3998000     -0.1190000    
 C    1.608000     -0.4706000     -7.1099997E-02
 C   -7.353600      0.4326000     -9.6000005E-03
 C    2.885200      0.3737000     -0.1172000    
 C   -8.657500     -0.3660000      9.2600003E-02
 C    4.164700     -0.4610000     -3.8899999E-02
 C   -9.908400      0.5122000      0.1461000    
 C    5.439600      0.3704000      1.6000000E-03
 C   -11.17220     -0.3271000      0.2543000    
 H   -2.168400       1.092500     -0.9591000    
 H   -2.199500       1.032200      0.8005000    
 H   -3.527800      -1.083600      0.6923000    
 H   -3.514500      -1.001300      -1.062500    
 H  -0.9711000      -1.144300      0.7607000    
 H  -0.9538000      -1.108100      -1.003800    
 H   -4.811500       1.121100     -0.9898000    
 H   -4.785000       1.084000      0.7704000    
 H   0.3372000       1.030400     -0.9535000    
 H   0.3150000       1.013500      0.8075000    
 H   -6.032400      -1.100800      0.7239000    
 H   -6.110400      -1.005000      -1.032800    
 H    1.618700      -1.096200      0.8298000    
 H    1.600200      -1.152500     -0.9303000    
 H   -7.277400       1.084200      0.8702000    
 H   -7.412800       1.096700     -0.8814000    
 H    2.895500      0.9671000      -1.039600    
 H    2.871900       1.085500      0.7175000    
 H   -8.727400      -1.042100     -0.7686000    
 H   -8.617300     -0.9986000      0.9880000    
 H    4.133700      -1.103300      0.8505000    
 H    4.209100      -1.147900     -0.8938000    
 H   -9.849300       1.189100       1.006100    
 H   -9.963400       1.134600     -0.7544000    
 H    5.448800       1.014400      0.8876000    
 H    5.510600      0.9986000     -0.8928000    
 H   -11.27540     -0.9938000     -0.6077000    
 H   -11.16080     -0.9382000       1.162600    
 H   -12.05430      0.3196000      0.2912000    
 H    9.991600      -1.037000     -1.7500000E-02


%chk=000005248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005248

0 1
S 8.282457 0.104721 0.182750
O 6.613359 -0.658795 0.244364
O 8.476070 0.343354 -1.635125
O 8.247769 1.593767 0.769031
O 9.295156 -1.032020 0.681164
C -2.201499 0.373099 -0.081366
C -3.506390 -0.418398 0.160149
C -0.924174 -0.451795 0.193800
C -4.782803 0.405776 -0.121451
C 0.378653 0.344249 -0.044498
C -6.088984 -0.383605 0.120118
C 1.655814 -0.485311 0.217675
C -7.364667 0.441139 -0.163895
C 2.954520 0.320689 -0.010659
C -8.671861 -0.347478 0.075120
C 4.225340 -0.533022 0.228640
C -9.946895 0.479854 -0.206528
C 5.495240 0.304373 0.023694
C -11.248452 -0.316435 0.029811
H -2.183420 0.737366 -1.130053
H -2.198669 1.278465 0.561368
H -3.527351 -0.779136 1.209978
H -3.508278 -1.325951 -0.479578
H -0.943390 -0.818967 1.241297
H -0.925730 -1.354969 -0.451941
H -4.761898 0.765914 -1.171572
H -4.780683 1.313912 0.517485
H 0.392512 0.719038 -1.089360
H 0.383049 1.242301 0.608127
H -6.111299 -0.742620 1.170555
H -6.091117 -1.292390 -0.517909
H 1.638799 -0.867324 1.259320
H 1.655271 -1.377364 -0.442622
H -7.363210 1.349275 0.475147
H -7.341610 0.801424 -1.213967
H 2.962193 0.717527 -1.046608
H 2.962704 1.200701 0.664899
H -8.676411 -1.254391 -0.565632
H -8.696143 -0.709672 1.124484
H 4.220667 -0.941074 1.256438
H 4.237677 -1.392060 -0.468132
H -9.943327 1.383807 0.436636
H -9.920049 0.844677 -1.253833
H 5.563295 1.128998 0.756963
H 5.555206 0.708177 -1.004627
H -11.294431 -1.205279 -0.627700
H -11.311178 -0.671214 1.076054
H -12.144043 0.299707 -0.172225
H 8.782112 -0.532341 -2.014587


