%chk=000051834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051834

0 1
 S    3.438900      -2.295700      9.1600001E-02
 O    4.742100      -1.318400      0.2322000    
 O    3.327000      -3.036000       1.340000    
 O    3.535000      -2.995900      -1.179900    
 C   -1.292400       1.417300     -0.2998000    
 C   -2.583200      0.7755000      0.2644000    
 C   -1.031600       2.768100      0.4108000    
 C   -3.015100     -0.5432000     -0.3952000    
 C  -9.7999997E-02  0.4815000     -0.2013000    
 C   0.1126000       3.570600     -0.2215000    
 C   -4.262800      -1.162700      0.2398000    
 C   0.2699000       4.934400      0.4523000    
 C   -4.631300      -2.524400     -0.3551000    
 C   0.5415000      8.9699998E-02  -1.360200    
 C   0.3115000      4.9800001E-02   1.044500    
 C    1.374800       5.751900     -0.1976000    
 C    1.636400     -0.7699000      -1.269600    
 C    1.406400     -0.8097000       1.135000    
 C    2.068800      -1.219600     -2.2000000E-02
 C   -5.850500      -3.163300      0.2916000    
 H   -1.486000       1.637000      -1.359100    
 H   -2.476200      0.6086000       1.344000    
 H   -3.406900       1.493400      0.1534000    
 H  -0.8248000       2.615700       1.477300    
 H   -1.946600       3.372800      0.3582000    
 H   -3.198400     -0.3686000      -1.462400    
 H   -2.199700      -1.272600     -0.3296000    
 H    1.055800       3.019000     -0.1371000    
 H  -8.7499999E-02   3.711100      -1.290700    
 H   -4.096600      -1.279700       1.317900    
 H   -5.108000     -0.4737000      0.1226000    
 H  -0.6715000       5.492600      0.3898000    
 H   0.4977000       4.799600       1.516100    
 H   -4.818200      -2.411000      -1.429600    
 H   -3.780100      -3.208100     -0.2517000    
 H   0.2147000      0.4348000      -2.336400    
 H  -0.1900000      0.3588000       1.956100    
 H    2.337800       5.236300     -0.1262000    
 H    1.471100       6.722000      0.2999000    
 H    1.159100       5.932500      -1.255500    
 H    2.141000      -1.069100      -2.183900    
 H    1.729900      -1.141500       2.117500    
 H   -6.732200      -2.524900      0.1764000    
 H   -6.065700      -4.130100     -0.1737000    
 H   -5.683300      -3.328500       1.360700    
 H    4.753100     -0.7409000       1.031500    


%chk=000051834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051834

0 1
S 3.622477 -2.294339 0.203706
O 4.895803 -0.938998 0.259983
O 3.626324 -3.049907 1.635040
O 3.828542 -3.133194 -1.166303
C -1.336860 1.384436 -0.265723
C -2.604374 0.707711 0.337496
C -1.102600 2.776685 0.393073
C -3.040532 -0.597513 -0.364831
C -0.106369 0.485598 -0.150522
C 0.041845 3.603821 -0.233524
C -4.325604 -1.196322 0.249387
C 0.195038 4.996485 0.420283
C -4.790885 -2.497315 -0.444532
C 0.552087 0.003264 -1.311334
C 0.397665 0.105662 1.123790
C 1.338251 5.829055 -0.198720
C 1.688540 -0.830079 -1.221849
C 1.529694 -0.724980 1.246419
C 2.140460 -1.168957 0.061968
C -6.074277 -3.084885 0.180807
H -1.530591 1.554034 -1.345905
H -2.433041 0.504339 1.415154
H -3.437422 1.438953 0.290560
H -0.906624 2.642904 1.477534
H -2.048168 3.352169 0.320311
H -3.209134 -0.396957 -1.444024
H -2.224767 -1.345973 -0.309095
H 0.999366 3.052734 -0.143163
H -0.145477 3.729649 -1.320883
H -4.154975 -1.399927 1.327512
H -5.141931 -0.444962 0.201048
H -0.761263 5.551276 0.328398
H 0.376826 4.868667 1.507157
H -4.961670 -2.295160 -1.521815
H -3.976141 -3.248073 -0.394734
H 0.173008 0.284167 -2.300310
H -0.096279 0.462452 2.034103
H 2.308610 5.308406 -0.093658
H 1.430102 6.816752 0.289162
H 1.165481 6.000149 -1.278114
H 2.195198 -1.214959 -2.112331
H 1.917824 -1.031767 2.222679
H -6.912414 -2.365342 0.116122
H -6.385779 -4.013590 -0.331428
H -5.920136 -3.324206 1.249968
H 5.792671 -1.376463 0.346638


