%chk=000008442.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008442

0 1
 S  -0.4167000       2.705000     -0.2386000    
 O  -0.7916000       3.686900      0.8275000    
 O    6.314300     -0.4395000     -0.1605000    
 O    5.565700      -2.614500      0.5585000    
 C   -3.595100      6.8700001E-02  0.1102000    
 C    1.209700       2.034900      0.1794000    
 C   -2.818400       1.360600     -0.1539000    
 C   -5.096200      0.2704000     -0.1082000    
 C   -1.329400       1.168800      0.1020000    
 C   -5.920500      -1.000700      0.1209000    
 C    1.695800       1.150100     -0.9787000    
 C   -7.424500     -0.7901000     -7.2700001E-02
 C    2.708900      0.1136000     -0.5581000    
 C    2.156600       3.194700      0.4770000    
 C   -8.239400      -2.075000      9.6799999E-02
 C    4.070800      0.4228000     -0.5885000    
 C    2.272300      -1.155300     -0.1387000    
 C    4.958900     -0.5572000     -0.1949000    
 C   -9.737200      -1.868700     -6.8200000E-02
 C    4.531500      -1.799200      0.2156000    
 C    3.192600      -2.129800      0.2550000    
 C    6.692100      -1.746400      0.3182000    
 H    1.100800       1.446400       1.098100    
 H   -3.230700     -0.7233000     -0.5550000    
 H   -3.418500     -0.2657000       1.139600    
 H   -2.982000       1.680900      -1.190700    
 H   -3.208000       2.160000      0.4889000    
 H   -5.268700      0.6276000      -1.131100    
 H   -5.456600       1.056700      0.5667000    
 H   -1.158100      0.8895000       1.147000    
 H  -0.9552000      0.3668000     -0.5372000    
 H   -5.737500      -1.371900       1.136800    
 H   -5.573400      -1.780200     -0.5686000    
 H   0.8811000      0.6215000      -1.485600    
 H    2.131000       1.777300      -1.769800    
 H   -7.606100     -0.3810000      -1.074200    
 H   -7.777800     -3.9600000E-02  0.6450000    
 H    3.145300       2.830300      0.7718000    
 H    1.786600       3.813100       1.302200    
 H    2.283500       3.846800     -0.3946000    
 H   -7.901300      -2.818800     -0.6344000    
 H   -8.048800      -2.496900       1.090900    
 H    4.425600       1.395000     -0.9130000    
 H    1.210800      -1.389600     -0.1144000    
 H   -9.970000      -1.481400      -1.065200    
 H   -10.11740      -1.159200      0.6734000    
 H   -10.26860      -2.816600      6.2399998E-02
 H    2.859900      -3.109300      0.5794000    
 H    7.250800      -1.629400       1.254000    
 H    7.345500      -2.217200     -0.4252000    


%chk=000008442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000008442

0 1
S -0.448588 2.261111 -0.448297
O -0.872295 3.342639 0.764804
O 6.950177 0.225981 -0.208706
O 6.690428 -2.065312 0.474597
C -3.988195 -0.080997 0.058283
C 1.272649 1.432557 0.186262
C -3.031901 1.065569 -0.353014
C -5.471161 0.249528 -0.226423
C -1.568488 0.720435 -0.064053
C -6.434215 -0.889367 0.177905
C 1.981001 0.832677 -1.048705
C -7.918432 -0.566128 -0.106309
C 3.211292 0.019228 -0.656748
C 2.013250 2.527433 0.945791
C -8.879811 -1.708881 0.293324
C 4.503191 0.625842 -0.667381
C 3.071916 -1.334090 -0.253690
C 5.586612 -0.157081 -0.265971
C -10.360874 -1.379026 0.007411
C 5.434668 -1.500961 0.135092
C 4.184359 -2.122403 0.150279
C 7.677315 -0.963078 0.313550
H 0.931406 0.635266 0.872085
H -3.711130 -1.011731 -0.479694
H -3.862004 -0.292606 1.140236
H -3.166548 1.286720 -1.430866
H -3.295529 1.985082 0.205711
H -5.597945 0.470429 -1.306822
H -5.749193 1.176641 0.315987
H -1.393418 0.517938 1.007177
H -1.184662 -0.107180 -0.688090
H -6.308386 -1.109139 1.258878
H -6.152671 -1.817482 -0.362858
H 1.273565 0.183501 -1.602610
H 2.266567 1.655988 -1.730849
H -8.046442 -0.342819 -1.186380
H -8.204089 0.358502 0.437540
H 2.816377 2.091920 1.566375
H 1.300001 3.062703 1.602440
H 2.464531 3.267473 0.259023
H -8.593748 -2.632167 -0.251091
H -8.751035 -1.932167 1.372238
H 4.640812 1.664953 -0.979424
H 2.076460 -1.793387 -0.258601
H -10.522049 -1.181119 -1.069266
H -10.680716 -0.478102 0.564396
H -11.026324 -2.211690 0.301108
H 4.070662 -3.166187 0.453259
H 8.104895 -0.716417 1.301456
H 8.440116 -1.268698 -0.422058


