%chk=000055409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055409

0 1
 S   0.2421000       1.663100      -1.916100    
 O   -4.348500      0.8668000      0.2123000    
 C    2.191400      0.2218000      0.1387000    
 C    1.125900     -0.6280000      0.1291000    
 C  -0.2945000     -0.1488000      0.1581000    
 C    2.068100       1.709100      0.2113000    
 C    3.637800     -0.2350000      5.2700002E-02
 C  -0.8092000      0.7977000     -0.7513000    
 C    1.288500       2.455400     -0.6957000    
 C    1.395700      -2.093400      7.9400003E-02
 C   -1.178300     -0.7338000       1.083400    
 C    2.807900       2.405600       1.184600    
 C   -2.172200       1.130000     -0.7290000    
 C    4.096700     -0.3113000      -1.383000    
 C    1.274200       3.856600     -0.6293000    
 C   -3.028600      0.5356000      0.1953000    
 C   -2.531400     -0.3916000       1.103900    
 C    1.507500      -2.725300      -1.150700    
 C    1.531300      -2.803000       1.263900    
 C    2.781900       3.799800       1.249200    
 C    2.020200       4.524500      0.3394000    
 C    1.760300      -4.096400      -1.197300    
 C    1.784200      -4.174000       1.217300    
 C    1.898700      -4.820600     -1.3400000E-02
 C   -5.264400     -0.1366000      0.6484000    
 C   -6.586500      0.1059000     -6.9999998E-04
 C   -7.198700     -0.7743000     -0.8004000    
 H    3.775300      -1.214500      0.5234000    
 H    4.323800      0.4152000      0.6044000    
 H  -0.8323000      -1.458200       1.815600    
 H    3.401700       1.875000       1.925600    
 H   -2.574200       1.863700      -1.425100    
 H    5.128100     -0.6775000      -1.427100    
 H    4.080700      0.6759000      -1.858200    
 H    3.486200     -0.9820000      -1.991300    
 H   0.6734000       4.442400      -1.321500    
 H   -3.155600     -0.8555000       1.861900    
 H    1.390200      -2.176100      -2.081000    
 H    1.454600      -2.312100       2.230400    
 H    3.356500       4.317900       2.011400    
 H    2.000100       5.609200      0.3887000    
 H    1.847000      -4.600300      -2.155400    
 H    1.894200      -4.737700       2.139100    
 H    2.095500      -5.888000     -4.9600001E-02
 H   -5.383200     -6.5099999E-02   1.735600    
 H   -4.913900      -1.144600      0.3905000    
 H   -7.074200       1.056500      0.1982000    
 H   -8.161400     -0.5383000      -1.240600    
 H   -6.756900      -1.737500      -1.030300    


%chk=000055409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055409

0 1
S 0.416105 1.617828 -2.067083
O -4.372537 0.489789 -0.507394
C 2.286044 0.212999 0.109939
C 1.243162 -0.692905 0.034569
C -0.204032 -0.330487 -0.077436
C 2.100483 1.696666 0.213734
C 3.752721 -0.227084 0.081575
C -0.720325 0.651088 -0.977714
C 1.322855 2.463316 -0.697103
C 1.491265 -2.178108 0.103100
C -1.161158 -1.048560 0.692915
C 2.782480 2.411011 1.241713
C -2.099835 0.899382 -1.093065
C 4.516096 0.366913 -1.133087
C 1.231282 3.869439 -0.595406
C -3.021739 0.166749 -0.308243
C -2.546580 -0.813567 0.598770
C 1.036029 -3.025858 -0.942778
C 2.128492 -2.774027 1.224969
C 2.696531 3.813558 1.353786
C 1.926537 4.552600 0.425710
C 1.238517 -4.421965 -0.883338
C 2.321379 -4.171850 1.292864
C 1.881908 -5.001862 0.235612
C -5.368805 -0.195915 0.346965
C -6.712705 0.406007 0.037075
C -7.821968 -0.320344 -0.242091
H 3.819632 -1.325756 0.042001
H 4.269562 0.088623 1.010550
H -0.801715 -1.817714 1.384518
H 3.378687 1.850878 1.970421
H -2.475410 1.660540 -1.781919
H 5.562211 0.009425 -1.139838
H 4.530868 1.470539 -1.102583
H 4.039002 0.059726 -2.080769
H 0.612686 4.416793 -1.313792
H -3.231819 -1.397376 1.219975
H 0.528434 -2.580957 -1.806046
H 2.458685 -2.134227 2.051956
H 3.227573 4.328349 2.162126
H 1.860369 5.643451 0.500060
H 0.892724 -5.056926 -1.706961
H 2.809667 -4.611981 2.169840
H 2.033165 -6.086084 0.285085
H -5.098558 -0.025017 1.411686
H -5.359779 -1.286115 0.146990
H -6.756439 1.502640 0.074413
H -8.789429 0.160299 -0.422024
H -7.796617 -1.415723 -0.299446


