%chk=000040109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040109

0 1
 S   -1.611900      0.9643000       1.796100    
 O    6.040300     -0.4004000     -0.6725000    
 O    5.259900      0.6293000       1.214500    
 N   -2.016300      -1.355300     -0.3054000    
 N   -3.434200      -3.855500      6.3999998E-03
 N    3.808300     -0.2333000     -0.4133000    
 C   -1.083400     -0.4651000     -0.9935000    
 C   -3.142100      -1.707300      -1.179400    
 C   -1.332000      -2.566900      0.1625000    
 C   -4.119300      -2.644100     -0.4609000    
 C   -2.309800      -3.502500      0.8816000    
 C   -1.784200      0.7524000      -1.618500    
 C   0.1089000     -5.5900000E-02 -0.1535000    
 C   -2.404300       1.869500     -0.7995000    
 C  -2.3900000E-02  0.6175000       1.072200    
 C   -4.366700      -4.747100      0.6930000    
 C    1.402000     -0.3283000     -0.6369000    
 C   -2.365800       2.050500      0.5952000    
 C   -3.077300       2.845700      -1.574500    
 C    1.121300      0.9887000       1.793400    
 C    2.534800      5.0299998E-02  8.3099999E-02
 C    2.394200      0.7090000       1.298600    
 C   -3.007700       3.173400       1.161700    
 C   -3.699700       3.952400      -1.000300    
 C   -3.665400       4.115800      0.3737000    
 C    5.047600      5.7200000E-02  0.1524000    
 C    7.382500     -0.1747000     -0.2263000    
 C    8.344000     -0.7397000      -1.250000    
 H  -0.6872000      -1.028100      -1.853600    
 H   -2.795900      -2.174300      -2.111100    
 H   -3.742100     -0.8303000      -1.439300    
 H  -0.5395000      -2.329600      0.8809000    
 H  -0.8638000      -3.102500     -0.6748000    
 H   -4.590800      -2.113600      0.3779000    
 H   -4.916200      -2.917400      -1.163300    
 H   -1.767800      -4.410900       1.171900    
 H   -2.666100      -3.025300       1.804800    
 H   -2.504000      0.4333000      -2.382300    
 H   -1.003500       1.260700      -2.209700    
 H   -4.806300      -4.282300       1.582900    
 H   -3.861100      -5.669300       1.000000    
 H   -5.180100      -5.043400      2.1400001E-02
 H    1.523500     -0.8410000      -1.589500    
 H   -3.117300       2.742200      -2.658200    
 H    1.034800       1.499200       2.750500    
 H    3.221200       1.031400       1.915800    
 H   -3.002000       3.331800       2.239600    
 H   -4.207000       4.679300      -1.626800    
 H   -4.147800       4.971600      0.8359000    
 H    3.837300     -0.7175000      -1.307400    
 H    7.553000      0.9017000     -0.1128000    
 H    7.534700     -0.6718000      0.7382000    
 H    9.381100     -0.5842000     -0.9401000    
 H    8.173200      -1.812400      -1.388300    
 H    8.191300     -0.2653000      -2.225000    


%chk=000040109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040109

0 1
S -1.348788 1.407460 1.849684
O 6.238669 -0.718739 -0.690021
O 5.594410 0.472600 1.240315
N -1.854531 -1.023351 -0.427090
N -3.390548 -3.454341 0.009635
N 4.041774 -0.309806 -0.377609
C -0.852041 -0.139024 -1.079162
C -2.930334 -1.438343 -1.363538
C -1.250576 -2.217565 0.217468
C -3.998873 -2.266152 -0.631876
C -2.327195 -3.030969 0.951299
C -1.497264 1.182395 -1.616348
C 0.335871 0.187844 -0.176712
C -2.604202 1.820163 -0.784430
C 0.219401 0.928991 1.029090
C -4.395856 -4.324534 0.647709
C 1.627983 -0.187330 -0.604851
C -2.597352 1.988616 0.626662
C -3.728753 2.328827 -1.493748
C 1.382134 1.247657 1.772814
C 2.793220 0.124685 0.141243
C 2.665320 0.849638 1.352815
C -3.681341 2.636479 1.278575
C -4.806037 2.974750 -0.855456
C -4.781102 3.126811 0.549245
C 5.299999 -0.119714 0.172274
C 7.659559 -0.612992 -0.251857
C 8.500539 -1.296733 -1.324982
H -0.420172 -0.654204 -1.980564
H -2.514324 -2.046831 -2.208036
H -3.413876 -0.540714 -1.784837
H -0.490600 -1.885849 0.945086
H -0.749055 -2.878157 -0.535313
H -4.506817 -1.607212 0.118019
H -4.759465 -2.604748 -1.360868
H -1.865042 -3.933216 1.394439
H -2.740111 -2.405638 1.783571
H -1.909615 0.989868 -2.624072
H -0.671392 1.905686 -1.764179
H -4.956426 -3.821262 1.476659
H -3.900978 -5.220067 1.065093
H -5.130611 -4.659875 -0.106640
H 1.721760 -0.748897 -1.544217
H -3.746014 2.208868 -2.584757
H 1.281363 1.829843 2.695092
H 3.553004 1.103347 1.935085
H -3.654366 2.761314 2.367446
H -5.649936 3.352139 -1.442579
H -5.603415 3.624722 1.074334
H 4.033187 -0.825122 -1.260424
H 7.911952 0.456586 -0.135707
H 7.758270 -1.099584 0.735468
H 9.569275 -1.247475 -1.047854
H 8.218316 -2.358114 -1.431552
H 8.372405 -0.800831 -2.302343


