%chk=000116126.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116126

0 1
 S   9.9999997E-05   3.669600      9.9999997E-05
 S    4.829700      -3.898400     -8.2999999E-03
 S   -4.838800      -3.892300      8.2000000E-03
 O  -3.1800002E-02   4.400800      -1.258900    
 O   7.4199997E-02   4.399900       1.258900    
 N    4.514800      -1.257300     -4.2100001E-02
 N   -4.520800      -1.251700      4.2100001E-02
 N    6.712400      -2.127300      2.4400000E-02
 N   -6.719400      -2.119000     -2.4400000E-02
 C    1.438100       2.633000     -1.3400000E-02
 C   -1.417300       2.650500      1.3300000E-02
 C    3.677100       1.014400     -3.4699999E-02
 C   -3.680100       1.018900      3.4699999E-02
 C    1.969500       2.239700      -1.226500    
 C   -1.971200       2.242100       1.226500    
 C    1.993300       2.240800       1.189300    
 C   -1.995000       2.243300      -1.189200    
 C    3.099900       1.422500      -1.237200    
 C   -3.102600       1.426300       1.237200    
 C    3.123800       1.423600       1.178500    
 C   -3.126300       1.427600      -1.178500    
 C    4.886000      0.1411000     -4.6599999E-02
 C   -4.890200      0.1472000      4.6500001E-02
 C    5.409400      -2.284800     -8.2000000E-03
 C   -5.416600      -2.278000      8.2000000E-03
 C    6.452100      -4.452400      3.7700001E-02
 C   -6.461900      -4.444400     -3.7700001E-02
 C    7.309600      -3.372400      5.1100001E-02
 C   -7.318100      -3.363300     -5.1100001E-02
 H    1.529300       2.540900      -2.171900    
 H   -1.533600       2.542000       2.174600    
 H    1.572400       2.539400       2.144300    
 H   -1.576600       2.541000      -2.146600    
 H    3.519400       1.107700      -2.189100    
 H   -3.522600       1.112200       2.189100    
 H    3.561600       1.109100       2.122300    
 H   -3.564800       1.113900      -2.122200    
 H    5.514000      0.3669000      0.8249000    
 H    5.497700      0.3636000     -0.9303000    
 H   -5.501700      0.3705000      0.9302000    
 H   -5.518000      0.3738000     -0.8249000    
 H    3.521800      -1.475100     -7.0900001E-02
 H   -3.528000      -1.470700      7.0900001E-02
 H    6.693500      -5.505600      5.2999999E-02
 H   -6.704600      -5.497300     -5.3100001E-02
 H    8.388700      -3.438900      7.9800002E-02
 H   -8.397300      -3.428500     -7.9700001E-02


%chk=000116126-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116126

0 1
S 0.000933 3.405205 0.004392
S 5.016460 -3.874979 0.361292
S -5.021470 -3.868890 -0.368654
O -0.506767 4.182199 -1.345905
O 0.509653 4.178289 1.356567
N 4.541487 -1.672011 -1.322630
N -4.545936 -1.669213 1.319375
N 5.897050 -1.346980 0.634808
N -5.899735 -1.339696 -0.638535
C 1.410250 2.254498 -0.536807
C -1.410008 2.255136 0.542684
C 3.520353 0.626353 -1.357490
C -3.522586 0.628013 1.359005
C 1.508218 1.937859 -1.898919
C -1.508492 1.935056 1.903953
C 2.333085 1.825161 0.431346
C -2.333450 1.829734 -0.426626
C 2.580807 1.109504 -2.302528
C -2.582367 1.107281 2.305346
C 3.395691 0.998287 0.008738
C -3.397308 1.003341 -0.006237
C 4.670794 -0.277286 -1.797869
C -4.674327 -0.275177 1.796893
C 5.150396 -2.101018 -0.166309
C -5.154342 -2.095730 0.161872
C 6.083422 -3.429992 1.757541
C -6.086925 -3.420614 -1.765012
C 6.422524 -2.093902 1.699863
C -6.424969 -2.084346 -1.705301
H 0.789523 2.352194 -2.613827
H -0.789232 2.346442 2.619995
H 2.239108 2.156530 1.470781
H -2.238899 2.163704 -1.465177
H 2.689958 0.848245 -3.362114
H -2.691977 0.843414 3.364238
H 4.142179 0.642406 0.727258
H -4.144275 0.650431 -0.725725
H 5.628410 0.100119 -1.400473
H 4.738903 -0.298079 -2.901027
H -4.743401 -0.297812 2.899955
H -5.631221 0.103842 1.399309
H 3.860439 -2.278930 -1.777064
H -3.865849 -2.277549 1.773352
H 6.355519 -4.182592 2.493017
H -6.359075 -4.171731 -2.501984
H 7.056492 -1.586573 2.428244
H -7.057941 -1.575241 -2.433309


