%chk=000076741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076741

0 1
 S   -5.320300     -0.2745000      0.2921000    
 S    1.374300      3.4499999E-02  -2.444900    
 P    1.656100      2.6400000E-02 -0.5151000    
 O    1.671000       1.466000      0.2431000    
 O    3.067600     -0.6060000     -5.2000000E-03
 O   0.5976000     -0.8157000      0.3787000    
 O   -5.622500       1.190700      0.4417000    
 C    2.496300       2.510200     -0.2445000    
 C    3.318300      -1.992200     -0.1649000    
 C    2.318100       3.732700      0.6426000    
 C    4.697600      -2.309800      0.3923000    
 C  -0.7654000     -0.6914000      0.3579000    
 C    3.163900       4.901500      0.1702000    
 C    5.042700      -3.780400      0.2416000    
 C   -3.535600     -0.4381000      0.3172000    
 C   -1.341200      0.5372000      5.1300000E-02
 C   -1.563100      -1.794400      0.6443000    
 C   -2.730100      0.6641000      3.0999999E-02
 C   -2.952100      -1.667400      0.6239000    
 C   -5.573300     -0.6935000      -1.453200    
 H    2.210200       2.753400      -1.272100    
 H    3.538900       2.175700     -0.2379000    
 H    3.269800      -2.249500      -1.227500    
 H    2.551700      -2.562700      0.3691000    
 H    1.260600       4.022300      0.6617000    
 H    2.579000       3.477700       1.676800    
 H    5.450300      -1.696900     -0.1178000    
 H    4.741900      -2.023000       1.449800    
 H    2.890500       5.197700     -0.8476000    
 H    3.017400       5.765400      0.8261000    
 H    4.228000       4.644500      0.1794000    
 H    4.323300      -4.408900      0.7762000    
 H    6.038000      -3.980400      0.6504000    
 H    5.042400      -4.077500     -0.8121000    
 H  -0.7485000       1.417100     -0.1694000    
 H   -1.112500      -2.753500      0.8833000    
 H   -3.160400       1.631300     -0.2141000    
 H   -3.566300      -2.535400      0.8489000    
 H   -5.259200      -1.724800      -1.631500    
 H   -6.637600     -0.5969000      -1.680700    
 H   -5.004600     -1.1300000E-02  -2.089700    


%chk=000076741-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076741

0 1
S -5.616750 -0.052905 0.217110
S 1.385661 -0.225799 -2.333579
P 1.623540 -0.101425 -0.290560
O 1.679578 1.460708 0.428775
O 3.024766 -0.820826 0.399386
O 0.408608 -0.841346 0.726588
O -5.736511 1.601066 -0.020012
C 2.641980 2.461955 -0.132168
C 3.480492 -2.150858 -0.107059
C 2.318561 3.797508 0.538546
C 4.904459 -2.350441 0.413887
C -0.982032 -0.635332 0.538312
C 3.275061 4.909607 0.050883
C 5.469537 -3.721726 -0.021585
C -3.734010 -0.354776 0.324352
C -1.524892 0.642949 0.271210
C -1.804830 -1.771147 0.711381
C -2.924947 0.780870 0.162134
C -3.206384 -1.626400 0.616046
C -5.841386 -0.777726 -1.559211
H 2.511704 2.511560 -1.231339
H 3.669490 2.126241 0.103104
H 3.443029 -2.149608 -1.214432
H 2.792522 -2.924566 0.283170
H 1.270325 4.069418 0.315051
H 2.397418 3.676860 1.634426
H 5.544238 -1.533067 0.032924
H 4.897321 -2.272071 1.516530
H 3.195321 5.060675 -1.041743
H 3.033998 5.868901 0.541334
H 4.328458 4.667402 0.285118
H 4.857358 -4.554173 0.372635
H 6.498635 -3.854282 0.355965
H 5.500178 -3.814505 -1.123199
H -0.862707 1.509240 0.174299
H -1.342790 -2.739204 0.924769
H -3.411181 1.746514 -0.030774
H -3.856669 -2.495647 0.767882
H -5.590692 -1.849349 -1.548558
H -6.896068 -0.607282 -1.820116
H -5.167590 -0.202811 -2.210084


