%chk=000059263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059263

0 1
 S   -1.130500       1.517800      0.7136000    
 O    2.601100       1.604100      -1.872700    
 C    1.651600       1.812900      0.3585000    
 C    2.917700       1.446500     -0.4837000    
 C   0.4216000      0.9746000     -7.1500003E-02
 C    1.894100       1.708600       1.873800    
 C   -3.688200      0.5858000      0.3531000    
 C   -4.645000     -0.3815000     -0.3509000    
 C   -2.251800      0.3689000     -0.1147000    
 C    4.101600       2.379800     -0.1990000    
 C   -6.082700     -0.1941000      0.1393000    
 C   -7.077000      -1.154700     -0.5166000    
 C    3.336800      4.7300000E-02 -0.2705000    
 C   -8.494400      -1.020900      1.8500000E-02
 C    3.675600      -1.092100     -9.6699998E-02
 C    4.080400      -2.443900      0.1123000    
 C    5.538800      -2.785400      3.1099999E-02
 C    3.150200      -3.373700      0.3760000    
 H    1.414600       2.863300      0.1340000    
 H   0.5748000     -8.0200002E-02  0.1801000    
 H   0.2791000       1.048100      -1.154300    
 H   -4.002300       1.616600      0.1455000    
 H   -3.756300      0.4344000       1.437900    
 H    2.058100      0.6716000       2.184600    
 H    1.047400       2.097500       2.447400    
 H    2.762900       2.297200       2.182100    
 H   -4.603200     -0.2207000      -1.434900    
 H   -4.328000      -1.414600     -0.1639000    
 H   -2.185800      0.5239000      -1.196800    
 H   -1.938100     -0.6568000      0.1065000    
 H   -6.113100     -0.3379000       1.226700    
 H   -6.401400      0.8380000     -5.2099999E-02
 H    3.807700       3.429400     -0.3138000    
 H    4.515800       2.241000      0.8046000    
 H    4.913800       2.207000     -0.9163000    
 H   -6.740100      -2.186800     -0.3625000    
 H   -7.087000     -0.9824000      -1.599400    
 H    2.333200       2.528100      -2.015500    
 H   -8.880200     -1.0300000E-02 -0.1485000    
 H   -8.527200      -1.228000       1.092700    
 H   -9.159900      -1.728200     -0.4860000    
 H    5.933600      -2.540700     -0.9608000    
 H    5.724300      -3.850100      0.2094000    
 H    6.105800      -2.219400      0.7780000    
 H    3.422400      -4.411400      0.5404000    
 H    2.094500      -3.126000      0.4351000    


%chk=000059263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059263

0 1
S -1.127965 1.634978 0.591378
O 2.744509 1.677630 -1.738845
C 1.689659 1.841469 0.521630
C 3.011739 1.520284 -0.274432
C 0.544757 0.921911 0.045403
C 1.880742 1.766231 2.054022
C -3.718700 0.590192 0.200765
C -4.686787 -0.447785 -0.416533
C -2.253515 0.315430 -0.176559
C 4.167410 2.476357 0.120688
C -6.160643 -0.205929 -0.018659
C -7.135699 -1.233740 -0.637281
C 3.425109 0.114320 -0.094773
C -8.604144 -0.995222 -0.224067
C 3.789664 -1.050754 0.103685
C 4.223052 -2.416298 0.247589
C 4.584989 -3.139734 -1.043953
C 4.305273 -3.019666 1.471543
H 1.426546 2.888298 0.249359
H 0.647703 -0.087786 0.480531
H 0.543725 0.849574 -1.054790
H -4.003743 1.606580 -0.137322
H -3.820820 0.581464 1.304132
H 2.270103 0.773337 2.346365
H 0.911028 1.914671 2.560820
H 2.579779 2.536830 2.422888
H -4.596952 -0.424820 -1.522614
H -4.385362 -1.467946 -0.098991
H -2.111579 0.341871 -1.272196
H -1.925263 -0.669571 0.202775
H -6.251781 -0.235662 1.087226
H -6.462911 0.816451 -0.328121
H 3.836083 3.530287 0.044033
H 4.513235 2.295409 1.151609
H 5.017147 2.318649 -0.564259
H -6.826987 -2.255638 -0.335655
H -7.050552 -1.197207 -1.742606
H 2.514222 2.631925 -1.894117
H -8.947196 0.008251 -0.539959
H -8.721797 -1.058143 0.874340
H -9.280165 -1.742075 -0.679648
H 3.722055 -3.162599 -1.734743
H 4.902307 -4.176409 -0.840216
H 5.404534 -2.615625 -1.569461
H 4.640325 -4.058330 1.566694
H 4.042168 -2.488860 2.392427


