%chk=000125782.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125782

0 1
 S    4.873700      -1.413100      3.5100002E-02
 O    2.178900      -1.081400     -3.5000001E-03
 O   -1.192600       3.088300     -0.2799000    
 O    1.406700       3.448500      3.9700001E-02
 O    4.354600      -2.944800     -0.1439000    
 O    5.619300      -1.057000      -1.152300    
 O    5.429200      -1.257900       1.361200    
 C   -4.446800      -1.270300     -4.8900001E-02
 C   -5.325400     -3.4699999E-02 -0.3534000    
 C   -2.949900     -0.9162000     -3.2600001E-02
 C   -4.895600       1.171900      0.4567000    
 C   -2.486400      0.4268000      1.0400000E-02
 C   -3.477200       1.570000      7.4699998E-02
 C   -4.773400      -2.317000      -1.140900    
 C   -4.835300      -1.862800       1.324000    
 C   -1.087200      0.6778000     -2.9500000E-02
 C   -2.005700      -1.962900     -2.4800001E-02
 C  -0.1706000     -0.4049000     -2.3700001E-02
 C  -0.6368000      -1.715200     -1.3400000E-02
 C    1.243200     -0.1003000     -1.6100001E-02
 C  -0.5196000       2.083800     -0.1075000    
 C    1.825900       1.139800     -3.8000001E-03
 C   0.9855000       2.302000     -1.3800000E-02
 C    3.218700      0.9262000      2.1000000E-02
 C    3.384900     -0.4439000      1.8100001E-02
 C    4.281800       1.947500      4.6999998E-02
 H   -6.381100     -0.2559000     -0.1517000    
 H   -5.262800      0.2209000      -1.420500    
 H   -4.954300      0.9591000       1.530000    
 H   -5.573300       2.012600      0.2683000    
 H   -3.151200       2.302400      0.8215000    
 H   -3.498900       2.058500     -0.9074000    
 H   -5.854600      -2.486100      -1.210300    
 H   -4.423200      -1.984500      -2.125300    
 H   -4.315000      -3.290900     -0.9396000    
 H   -5.911500      -2.063000       1.377700    
 H   -4.319700      -2.811400       1.514800    
 H   -4.577500      -1.189800       2.149000    
 H   -2.328400      -3.001000     -1.5900001E-02
 H   4.8200000E-02  -2.559100     -2.4000001E-03
 H    5.248700       1.530400      0.3440000    
 H    4.398800       2.399100     -0.9434000    
 H    4.039800       2.743200      0.7592000    
 H    3.887500      -3.139400     -0.9903000    


%chk=000125782-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125782

0 1
S 4.867338 -1.550223 0.216933
O 2.161135 -1.151996 0.117333
O -1.251738 3.074263 -0.563862
O 1.455310 3.484805 -0.156495
O 4.747888 -2.168259 -1.531569
O 6.174938 -0.613407 0.382161
O 4.628787 -2.805847 1.206253
C -4.528204 -1.267969 0.037839
C -5.408367 -0.037196 -0.318337
C -3.024777 -0.899724 0.045518
C -4.943028 1.231443 0.410934
C -2.541605 0.451305 -0.033336
C -3.524318 1.616006 -0.044864
C -4.809373 -2.376662 -1.020314
C -4.924352 -1.807702 1.447228
C -1.122366 0.684743 -0.083089
C -2.089443 -1.961924 0.139730
C -0.215110 -0.425889 0.024310
C -0.703444 -1.743700 0.142925
C 1.200437 -0.144765 0.019834
C -0.553248 2.063558 -0.271216
C 1.822656 1.103112 -0.042472
C 1.003552 2.306973 -0.147006
C 3.265745 0.907663 0.015557
C 3.401151 -0.468132 0.117250
C 4.310838 1.981752 -0.030095
H -6.461615 -0.274915 -0.075378
H -5.362968 0.142226 -1.412185
H -4.962689 1.074173 1.506901
H -5.627830 2.073597 0.200882
H -3.129523 2.441973 0.572061
H -3.558437 2.044090 -1.067143
H -5.899522 -2.550132 -1.087353
H -4.448564 -2.074350 -2.020212
H -4.338783 -3.342116 -0.762309
H -5.980528 -2.135523 1.440315
H -4.301418 -2.672702 1.738427
H -4.807670 -1.034927 2.227586
H -2.457041 -2.990271 0.212368
H -0.001278 -2.578155 0.227394
H 5.327336 1.562905 0.004412
H 4.188604 2.585584 -0.946674
H 4.172942 2.679576 0.814788
H 5.319984 -2.987961 -1.597431


