%chk=000038121.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038121

0 1
 S    2.709200     -0.6357000      0.3262000    
 O    5.887700       1.704800     -1.6700000E-02
 O    5.332100      9.4099998E-02   1.534500    
 N   0.2967000      -1.324300     -0.7618000    
 N   -4.155100      0.1983000     -0.5399000    
 N   -2.560800       1.608300      -1.180500    
 N   0.1593000     -4.1999999E-03  -2.501400    
 N    1.352900      0.2491000      -1.855400    
 C   -1.771300      -1.542900      -2.154100    
 C   -2.832100     -0.4762000      -2.523200    
 C  -0.4283000     -0.9361000      -1.823500    
 C   -3.153400      0.4625000      -1.432000    
 C   -4.213100       1.243300      0.3461000    
 C   -3.208200       2.110000     -7.4800000E-02
 C  -3.1199999E-02  -2.300400      0.1792000    
 C    1.416900     -0.5516000     -0.8157000    
 C   -5.033300       1.497200       1.445900    
 C   -2.994700       3.305600      0.6318000    
 C   0.3531000      -3.617400     -3.7300002E-02
 C  -0.7346000      -1.942200       1.322000    
 C   -4.806900       2.691800       2.137500    
 C   -3.806300       3.581200       1.739400    
 C   2.8000001E-02  -4.593200      0.9050000    
 C   -1.059400      -2.918000       2.264500    
 C  -0.6781000      -4.243400       2.055800    
 C    3.842000      0.6271000     -0.3228000    
 C    5.080900      0.7433000      0.5289000    
 C    7.118800       1.943200      0.6737000    
 C    7.889200       3.026000     -5.1199999E-02
 H   -1.636100      -2.215000      -3.010300    
 H   -2.161600      -2.150400      -1.331000    
 H   -2.484200      9.6799999E-02  -3.392300    
 H   -3.743600     -0.9939000      -2.848100    
 H   -4.747800     -0.6214000     -0.5310000    
 H   -5.809100      0.8052000       1.753100    
 H   -2.219800       4.003000      0.3305000    
 H   0.9039000      -3.903100     -0.9298000    
 H   -1.038800     -0.9130000       1.495700    
 H   -5.421900       2.931600       3.001400    
 H   -3.654100       4.501800       2.297000    
 H   0.3249000      -5.625300      0.7427000    
 H   -1.609800      -2.645800       3.160300    
 H  -0.9312000      -5.003100       2.789500    
 H    3.332600       1.595700     -0.3296000    
 H    4.142500      0.3505000      -1.338100    
 H    7.709200       1.020500      0.6961000    
 H    6.905700       2.264000       1.699600    
 H    8.838100       3.233900      0.4510000    
 H    8.093900       2.727200      -1.084600    
 H    7.303700       3.950200     -9.7700000E-02


%chk=000038121-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038121

0 1
S 2.693875 -0.313249 0.371284
O 6.240717 1.523971 -0.206718
O 5.241224 0.527431 1.652500
N 0.333530 -1.005058 -0.996961
N -3.977114 -0.334824 -0.675359
N -2.667369 1.516498 -0.920186
N 0.702293 -0.271478 -3.096989
N 1.852594 0.036662 -2.308503
C -1.555553 -1.338216 -2.732879
C -2.596974 -0.169777 -2.812357
C -0.192040 -0.889299 -2.297973
C -3.055993 0.358785 -1.484007
C -4.192377 0.425663 0.482790
C -3.361597 1.586517 0.311809
C -0.272058 -1.622511 0.159871
C 1.598436 -0.411978 -1.060528
C -4.995292 0.231054 1.624922
C -3.328788 2.583829 1.312809
C -0.256155 -3.031935 0.284325
C -0.861620 -0.811499 1.155722
C -4.947040 1.238559 2.613544
C -4.126976 2.395605 2.460923
C -0.844635 -3.633592 1.418788
C -1.445570 -1.421371 2.287492
C -1.438610 -2.829589 2.420729
C 4.082339 0.595282 -0.535985
C 5.210593 0.853150 0.444734
C 7.440129 1.859289 0.628923
C 8.418145 2.590745 -0.283056
H -1.453972 -1.761905 -3.747802
H -1.926258 -2.141863 -2.070744
H -2.143581 0.665616 -3.369862
H -3.470396 -0.528034 -3.392311
H -4.407248 -1.231262 -0.896269
H -5.628902 -0.653179 1.751281
H -2.700181 3.470653 1.187102
H 0.226037 -3.638815 -0.489558
H -0.865917 0.275963 1.035539
H -5.556394 1.131171 3.517817
H -4.122543 3.153442 3.251835
H -0.829448 -4.723661 1.524904
H -1.910895 -0.795091 3.055690
H -1.889265 -3.298314 3.302319
H 3.686871 1.536537 -0.949242
H 4.421525 -0.017469 -1.385910
H 7.852944 0.916183 1.030245
H 7.103296 2.479005 1.479397
H 9.325821 2.862637 0.286043
H 8.718179 1.953864 -1.132477
H 7.968709 3.515456 -0.683062


