%chk=000051993.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051993

0 1
 S   -1.209200      0.6295000      1.5300000E-02
 O   -1.256600       1.358600       1.271800    
 O   -1.271500       1.344300      -1.248700    
 O    3.677100      0.2761000     -9.1000004E-03
 O    2.662900      -1.799900      7.6000001E-03
 C   -3.881600      0.1413000     -1.1200000E-02
 C   -2.525400     -0.5456000      2.9600000E-02
 C   -5.020100     -0.8765000      2.1500001E-02
 C   -6.377700     -0.1969000     -5.8100000E-02
 C   0.1977000     -0.3790000      1.2800000E-02
 C    1.385000      0.2340000      2.4000001E-03
 C    2.619900     -0.5798000      7.9999998E-04
 C    4.968300     -0.3420000     -1.1800000E-02
 C    6.031000      0.7361000     -2.3000000E-02
 H   -3.979400      0.8278000      0.8387000    
 H   -3.961600      0.7527000     -0.9183000    
 H   -2.424400      -1.147100      0.9390000    
 H   -2.400800      -1.195600     -0.8428000    
 H   -4.965500      -1.466900      0.9435000    
 H   -4.919800      -1.574900     -0.8175000    
 H   -6.476900      0.3744000     -0.9866000    
 H   -7.177400     -0.9436000     -3.1800002E-02
 H   -6.523800      0.4873000      0.7839000    
 H   8.5299999E-02  -1.456700      2.0400001E-02
 H    1.479900       1.314800     -4.6999999E-03
 H    5.078400     -0.9613000      0.8855000    
 H    5.069800     -0.9715000     -0.9029000    
 H    7.032900      0.2977000     -2.5300000E-02
 H    5.922400       1.375000     -0.9057000    
 H    5.930900       1.385100      0.8533000    


%chk=000051993-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051993

0 1
S -1.319500 0.772296 0.927588
O -1.922557 1.058317 2.423602
O -1.007108 1.990077 -0.125178
O 3.650734 0.177565 -0.160447
O 2.947484 -1.415361 1.402804
C -3.928582 0.109369 0.036253
C -2.519222 -0.480708 0.041668
C -4.945476 -0.884215 -0.584320
C -6.374571 -0.299661 -0.602011
C 0.298738 -0.188794 1.157680
C 1.378219 0.217403 0.459628
C 2.702327 -0.444550 0.646301
C 5.044811 -0.367356 -0.076995
C 5.902013 0.473023 -1.015868
H -4.230039 0.350924 1.073728
H -3.934420 1.055133 -0.538463
H -2.433621 -1.405576 0.637039
H -2.069798 -0.596669 -0.957846
H -4.938062 -1.830350 -0.006722
H -4.634941 -1.139181 -1.617267
H -6.414944 0.632576 -1.195052
H -7.091234 -1.014521 -1.044957
H -6.719138 -0.063175 0.421536
H 0.258196 -0.974847 1.918557
H 1.307229 1.054998 -0.246650
H 5.373662 -0.303772 0.976008
H 5.012336 -1.433961 -0.364466
H 6.945625 0.110423 -0.990266
H 5.536037 0.404301 -2.054286
H 5.895602 1.533692 -0.712997


