%chk=000153422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153422

0 1
 S    4.141500     -0.5526000       1.075200    
 S   -4.141900      0.5520000       1.075500    
 O    2.207000       1.502200       1.069700    
 O   -2.207300      -1.502800       1.071600    
 N    6.062300      0.3706000      -2.376200    
 N   -6.061400     -0.3692000      -2.377200    
 C    1.276400     -0.6922000       1.072600    
 C   -1.276700      0.6916000       1.073200    
 C   0.1026000      -1.448700       1.072400    
 C  -0.1029000       1.448000       1.072800    
 C    1.216500      0.7838000       1.072200    
 C   -1.216900     -0.7845000       1.072700    
 C    2.520700      -1.333900       1.073400    
 C   -2.521000       1.333300       1.074600    
 C   0.1731000      -2.846900       1.072600    
 C  -0.1735000       2.846300       1.073900    
 C    2.586400      -2.727500       1.073800    
 C   -2.586700       2.726900       1.075800    
 C    4.460900     -0.4003000     -0.7016000    
 C   -4.460600      0.4008000     -0.7016000    
 C    1.415000      -3.482400       1.073300    
 C   -1.415500       3.481700       1.075400    
 C    5.816300      0.2528000     -0.9421000    
 C   -5.816000     -0.2522000     -0.9429000    
 C    7.376800      0.9637000      -2.624800    
 C    5.014800       1.169300      -3.013300    
 C   -7.375900     -0.9622000      -2.626600    
 C   -5.013700      -1.167600      -3.014400    
 H  -0.7227000      -3.462000       1.072400    
 H   0.7223000       3.461400       1.073600    
 H    3.537000      -3.256800       1.074300    
 H   -3.537300       3.256100       1.076900    
 H    3.635900      0.1943000      -1.101600    
 H    4.424900      -1.394800      -1.160000    
 H   -3.635600     -0.1936000      -1.101600    
 H   -4.424400       1.395600      -1.159400    
 H    5.859400       1.237200     -0.4564000    
 H    6.600000     -0.3706000     -0.4922000    
 H   -5.859200      -1.237000     -0.4578000    
 H   -6.599900      0.3708000     -0.4928000    
 H    1.468500      -4.567300       1.073600    
 H   -1.469000       4.566600       1.076200    
 H    8.166600      0.3540000      -2.171900    
 H    7.453900       1.981400      -2.224900    
 H    7.587600      0.9979000      -3.699500    
 H    5.289500       1.399600      -4.050300    
 H    4.840400       2.121900      -2.499700    
 H    4.071600      0.6201000      -3.092500    
 H   -8.165800     -0.3528000      -2.173600    
 H   -7.453100      -1.980100      -2.227300    
 H   -7.586300     -0.9958000      -3.701400    
 H   -5.288100      -1.397200      -4.051700    
 H   -4.839500      -2.120500      -2.501400    
 H   -4.070500     -0.6184000      -3.092800    


%chk=000153422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153422

0 1
S 4.215367 -0.928329 0.827918
S -4.215398 0.934690 0.818130
O 2.357494 1.422236 1.207815
O -2.357964 -1.413677 1.209322
N 5.549407 1.122300 -2.516396
N -5.548728 -1.129646 -2.518117
C 1.295629 -0.751045 1.067184
C -1.295836 0.759009 1.060979
C 0.038444 -1.437654 1.175186
C -0.038843 1.446205 1.167316
C 1.286316 0.733855 1.133521
C -1.286653 -0.725567 1.134620
C 2.498772 -1.532188 1.028607
C -2.498966 1.539900 1.016631
C -0.007695 -2.842003 1.319797
C 0.007089 2.851367 1.303922
C 2.423458 -2.939936 1.202940
C -2.423899 2.948605 1.183034
C 4.159950 0.266647 -0.648307
C -4.159375 -0.266157 -0.653443
C 1.184701 -3.590333 1.362922
C -1.185341 3.599939 1.340844
C 5.486176 0.127832 -1.420995
C -5.486032 -0.131445 -1.426073
C 6.408839 0.694572 -3.638572
C 5.879763 2.485977 -2.053975
C -6.409549 -0.706782 -3.641053
C -5.876902 -2.492233 -2.050936
H -0.989518 -3.316658 1.401876
H 0.988800 3.326434 1.384930
H 3.351797 -3.520292 1.181228
H -3.352222 3.528802 1.157000
H 3.993378 1.272993 -0.240091
H 3.306552 -0.012984 -1.286263
H -3.991722 -1.270712 -0.241315
H -3.306477 0.011773 -1.292797
H 6.351015 0.222401 -0.714444
H 5.541563 -0.883555 -1.862716
H -6.350464 -0.224556 -0.718831
H -5.542684 0.878409 -1.871140
H 1.153448 -4.677431 1.489526
H -1.154273 4.687768 1.461055
H 6.069367 -0.284995 -4.018969
H 7.490648 0.605977 -3.363937
H 6.328362 1.425698 -4.463265
H 5.789883 3.193763 -2.897202
H 6.917728 2.565675 -1.641384
H 5.175327 2.808145 -1.269023
H -6.071586 0.271922 -4.024990
H -7.491247 -0.618602 -3.365858
H -6.328809 -1.440591 -4.463333
H -5.786945 -3.202626 -2.891957
H -6.914363 -2.571921 -1.637078
H -5.171286 -2.810979 -1.265646


