%chk=000147838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147838

0 1
 S    5.359600      0.3375000     -6.2700003E-02
 O    5.802500      0.3630000       1.511200    
 O    5.867500     -0.9054000     -0.6258000    
 O    5.717100       1.618700     -0.6524000    
 C  -0.6604000     -2.7300000E-02 -1.2600000E-02
 C   -1.239300      -1.320100     -4.3000001E-03
 C   -1.557700       1.071400     -8.3999997E-03
 C   0.7748000      9.9900000E-02 -2.4499999E-02
 C   -2.635900      -1.480100      7.6000001E-03
 C   -2.957300      0.9166000      3.5000001E-03
 C   -3.503300     -0.3795000      1.1700000E-02
 C    1.574400      -1.072900     -2.8000001E-02
 C  -0.4191000      -2.451600     -7.8999996E-03
 C   0.9664000      -2.330200     -1.9600000E-02
 C    1.465100       1.338300     -3.3399999E-02
 C   -1.108700       2.504400     -1.6300000E-02
 C    2.976800     -0.9837000     -3.9600000E-02
 C   -3.227200      -2.866100      1.6400000E-02
 C   -3.822200       2.024600      7.4000000E-03
 C   -4.899400     -0.5412000      2.3600001E-02
 C    3.616800      0.2516000     -4.8099998E-02
 C    2.860700       1.413300     -4.5000002E-02
 C   -5.206400       1.850600      1.9500000E-02
 C   -5.744700      0.5682000      2.7500000E-02
 H  -0.7951000      -3.468900     -3.4299999E-02
 H    1.567300      -3.237900     -2.8999999E-02
 H    1.055300       2.326000     -2.8700000E-02
 H  -0.5545000       2.711200      0.9061000    
 H  -0.5643000       2.703300     -0.9463000    
 H   -1.820700       3.321000     -1.7700000E-02
 H    3.568000      -1.898000     -3.4200002E-02
 H   -4.214500      -2.937100      0.4755000    
 H   -3.282900      -3.260700      -1.003200    
 H   -2.654700      -3.556500      0.6434000    
 H   -3.546100       3.067800      2.7999999E-03
 H   -5.398400      -1.502800     -2.2000000E-03
 H    3.332500       2.392300     -4.3000001E-02
 H   -5.865000       2.714500      2.0900000E-02
 H   -6.822200      0.4314000      2.9400000E-02
 H    5.550300     -0.4340000       2.034200    


%chk=000147838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147838

0 1
S 5.430351 0.214287 -0.239814
O 5.683018 0.769792 1.518249
O 6.039836 -1.276112 -0.404159
O 5.914988 1.410330 -1.217841
C -0.722543 -0.030340 0.092448
C -1.331222 -1.360101 0.043555
C -1.570022 1.104240 0.251584
C 0.749671 0.053311 -0.010584
C -2.738329 -1.533602 -0.073995
C -2.990406 0.944625 0.079448
C -3.578899 -0.373025 -0.132768
C 1.544295 -1.140009 0.171859
C -0.473556 -2.524421 0.187353
C 0.892256 -2.422305 0.315539
C 1.441637 1.249256 -0.384997
C -1.059174 2.464873 0.712759
C 2.966754 -1.074762 0.132405
C -3.315247 -2.941790 -0.118417
C -3.865313 2.089593 0.085046
C -5.001816 -0.454649 -0.347931
C 3.567533 0.146054 -0.158454
C 2.841946 1.316425 -0.454884
C -5.236732 1.968481 -0.125919
C -5.811969 0.678102 -0.347173
H -0.935033 -3.514273 0.220992
H 1.511263 -3.313822 0.464365
H 0.877792 2.134511 -0.678402
H -0.079248 2.384608 1.206286
H -0.968525 3.203491 -0.108402
H -1.756571 2.892977 1.453439
H 3.570844 -1.975022 0.287609
H -4.403780 -2.949989 -0.263151
H -2.873301 -3.536370 -0.939040
H -3.116307 -3.484694 0.825148
H -3.441570 3.087393 0.225429
H -5.467674 -1.426730 -0.527335
H 3.357788 2.231987 -0.758024
H -5.873891 2.859410 -0.133449
H -6.889296 0.582884 -0.520775
H 6.665555 0.916984 1.645502


