%chk=000021743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021743

0 1
 S  -0.3199000      -2.012300     -0.6248000    
 S   -7.788400     -0.6506000     -0.5090000    
 O   -2.337200       1.338500       1.891400    
 O  -0.4125000       3.031100     -0.4248000    
 O    1.057700       2.854000       1.318800    
 O   -4.762900     -0.6696000       1.965800    
 O    8.037200     -0.3206000       1.158100    
 N  -0.5685000      0.1646000      0.8697000    
 N   -3.054800      -1.622800      0.7170000    
 N    3.665800      0.5736000     -0.9563000    
 N    7.967100      -1.889000     -0.5133000    
 C  -0.5091000      -1.276800       1.014900    
 C   -1.949700      -1.181800       1.566800    
 C   -1.722200      0.3583000       1.542300    
 C   0.3574000      0.9069000      0.2108000    
 C    1.261900      0.3263000     -0.6110000    
 C    1.265000      -1.163600     -0.9441000    
 C    2.341600       1.067200      -1.364700    
 C   0.3315000       2.421100      0.3864000    
 C   -4.387000      -1.323800      0.9944000    
 C   -5.359200      -1.869500     -3.2299999E-02
 C    4.198700     -0.4479000      -1.630300    
 C    4.277100       1.169800      6.9799997E-02
 C   -6.096600     -0.7240000     -0.6677000    
 C    5.447000     -0.9333000      -1.268200    
 C    5.527500      0.7262000      0.4763000    
 C    6.115000     -0.3369000     -0.2028000    
 C   -5.572100      0.3089000      -1.385700    
 C   -6.591400       1.201300      -1.827200    
 C    7.424700     -0.8236000      0.1997000    
 C   -7.844000      0.7983000      -1.419900    
 H   0.2305000      -1.600900       1.756800    
 H   -2.046000      -1.581800       2.583100    
 H    2.043400      -1.676600     -0.3707000    
 H    1.453600      -1.314100      -2.011100    
 H   -2.852000      -2.171400     -0.1149000    
 H    2.232200      0.9226000      -2.446600    
 H    2.327900       2.150200      -1.203300    
 H   -4.837500      -2.438200     -0.8101000    
 H   -6.028000      -2.568100      0.4833000    
 H    3.647500     -0.8570000      -2.467700    
 H    3.767400       1.991000      0.5583000    
 H    5.835200      -1.758200      -1.851300    
 H    6.018200       1.215800       1.311600    
 H   -4.517300      0.4344000      -1.594500    
 H   -6.414700       2.093400      -2.413900    
 H   -8.789300       1.285400      -1.613800    
 H    8.877400      -2.252100     -0.2481000    
 H    7.535700      -2.358200      -1.299100    


%chk=000021743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021743

0 1
S -1.055507 -1.436177 -1.176167
S -5.605962 -1.555760 -2.181695
O -1.957626 1.498237 2.445626
O -0.060823 3.288866 0.531508
O 2.031359 2.569139 1.268664
O -4.111325 -2.872480 2.192473
O 8.057032 -0.155854 1.064733
N -0.442853 0.235174 0.974681
N -3.442941 -1.019638 0.948154
N 3.599374 0.708865 -1.131024
N 7.845009 -2.048967 -0.265395
C -0.855615 -1.162917 0.674932
C -2.136081 -0.943006 1.558930
C -1.584968 0.510836 1.805538
C 0.529325 0.967917 0.294503
C 1.133809 0.423450 -0.830094
C 0.774232 -0.920890 -1.438059
C 2.207558 1.214195 -1.533160
C 0.835858 2.408046 0.757342
C -4.367192 -1.977524 1.335254
C -5.766523 -1.863338 0.685549
C 4.237837 -0.236522 -1.900540
C 4.149403 1.157831 0.057320
C -5.893826 -0.943424 -0.498331
C 5.461377 -0.779415 -1.498723
C 5.375859 0.630473 0.486404
C 6.056023 -0.349138 -0.279604
C -6.201802 0.412366 -0.526019
C -6.214844 0.990646 -1.849178
C 7.393693 -0.836361 0.227077
C -5.919486 0.079714 -2.849239
H -0.143438 -1.911279 1.057658
H -2.149482 -1.586250 2.455889
H 1.379105 -1.760082 -1.042325
H 0.897021 -0.901946 -2.536836
H -3.720346 -0.332376 0.240554
H 2.150830 1.107779 -2.631928
H 2.177974 2.283770 -1.274553
H -6.077653 -2.894962 0.444883
H -6.446494 -1.522683 1.489947
H 3.745966 -0.520357 -2.833618
H 3.509055 1.860700 0.638723
H 5.952118 -1.495199 -2.164122
H 5.825575 0.988848 1.416014
H -6.418943 0.983355 0.381343
H -6.435085 2.042316 -2.045958
H -5.859919 0.233544 -3.925086
H 8.750496 -2.383989 0.064543
H 7.276746 -2.669334 -0.838488


