%chk=000041238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041238

0 1
 S   -5.054500      -2.984500      2.9500000E-02
 S    4.678000      -3.387900      0.3858000    
 O  -0.4107000       1.325100      -2.864800    
 O   -4.584900      -1.735500      0.9907000    
 O    4.599200      -2.072400     -0.5976000    
 O   -6.468700      -3.470500      0.6841000    
 O    6.182000      -3.971800      0.1370000    
 O   -4.100100      -4.062800      0.2109000    
 O   -5.330000      -2.477600      -1.302300    
 O    3.741300      -4.373700     -0.1214000    
 O    4.592100      -2.950700       1.767100    
 N  -0.1058000       3.286500      -1.620600    
 C   1.6799999E-02   1.213400     -0.4091000    
 C   0.2161000       2.445000      0.4751000    
 C   0.1331000       3.605700     -0.2924000    
 C  -0.2008000       1.905900      -1.808900    
 C   -1.200300      0.4337000     -3.8600001E-02
 C    1.228800      0.3447000     -0.4593000    
 C   0.4354000       2.537100       1.842300    
 C   0.2693000       4.871100      0.2449000    
 C   -1.086300     -0.6872000      0.7828000    
 C    1.276300     -0.7347000      -1.340600    
 C   -2.450600      0.8265000     -0.5149000    
 C    2.312600      0.6127000      0.3763000    
 C   0.5767000       3.806900       2.411200    
 C   0.4950000       4.964400       1.618400    
 C   0.1792000       6.100200     -0.5890000    
 C   -2.224100      -1.416400       1.128300    
 C    2.409300      -1.547200      -1.386600    
 C   -3.588400      9.7400002E-02 -0.1693000    
 C    3.445500     -0.1997000      0.3301000    
 C   -3.475200      -1.024000      0.6522000    
 C    3.493900      -1.279700     -0.5513000    
 H  -0.2054000       3.975300      -2.356800    
 H   0.4778000       1.654500       2.472400    
 H  -0.1410000      -1.011700       1.207500    
 H   0.4442000     -0.9721000      -1.997600    
 H   -2.590400       1.706400      -1.135400    
 H    2.393000       1.446100       1.057100    
 H   0.7460000       3.901100       3.480600    
 H   0.6083000       5.934300       2.096700    
 H   0.3274000       7.007600      6.0999999E-03
 H   0.9476000       6.089700      -1.368900    
 H  -0.8075000       6.171100      -1.058400    
 H   -2.130300      -2.283400       1.776600    
 H    2.440200      -2.386700      -2.075900    
 H   -4.560900      0.4128000     -0.5373000    
 H    4.292400      2.0000000E-02  0.9748000    
 H   -6.464300      -3.577200       1.664200    
 H    6.453900      -4.045600     -0.8079000    


%chk=000041238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041238

0 1
S -5.278249 -3.378027 0.032413
S 4.992301 -3.665313 0.548727
O -0.101395 1.411452 -2.968460
O -4.836939 -1.490117 0.843018
O 4.772805 -1.995558 -0.689873
O -6.475192 -3.570306 1.401983
O 6.272291 -4.249530 -0.618556
O -3.999866 -4.341716 0.242396
O -6.112735 -3.453440 -1.341423
O 3.666966 -4.582286 0.462018
O 5.708255 -3.439524 1.971883
N 0.152858 3.332337 -1.616341
C 0.043625 1.253969 -0.429067
C 0.114335 2.457448 0.522325
C 0.191515 3.653479 -0.233973
C 0.012747 1.963639 -1.849168
C -1.248091 0.459011 -0.168133
C 1.304653 0.369572 -0.430609
C 0.098795 2.513980 1.924801
C 0.277074 4.934727 0.353303
C -1.246668 -0.599854 0.784253
C 1.308177 -0.814803 -1.224606
C -2.472365 0.823367 -0.797252
C 2.479532 0.733963 0.283442
C 0.182322 3.783593 2.549043
C 0.273001 4.963964 1.772806
C 0.360700 6.194553 -0.486572
C -2.430679 -1.279195 1.106794
C 2.446751 -1.629653 -1.287300
C -3.662402 0.147317 -0.493077
C 3.627971 -0.071788 0.227255
C -3.659107 -0.896208 0.483208
C 3.626932 -1.254951 -0.571788
H 0.200540 4.009127 -2.378496
H 0.020843 1.601745 2.525522
H -0.306335 -0.900417 1.258278
H 0.414045 -1.080972 -1.796724
H -2.488318 1.626051 -1.541096
H 2.486400 1.644923 0.889143
H 0.174651 3.854464 3.641348
H 0.337180 5.935119 2.277394
H 0.431979 7.090482 0.151510
H 1.248680 6.189650 -1.148262
H -0.532275 6.318803 -1.129832
H -2.436577 -2.102231 1.828150
H 2.457753 -2.546551 -1.884614
H -4.609019 0.406635 -0.977744
H 4.538366 0.190814 0.775625
H -6.254580 -2.817634 2.028662
H 6.157949 -3.661912 -1.424535


