%chk=000055528.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055528

0 1
 S  -0.3860000      -4.837600      0.3927000    
 O    1.666300       1.266600      0.3956000    
 O    2.881400      -1.254400      0.9977000    
 O   -1.274900      -3.433500      0.5175000    
 O    2.636600      -1.877200      -1.230400    
 N    1.686800      -3.144200      0.4608000    
 C    1.474600       2.589700     -0.1836000    
 C    2.849400       3.289900     -0.2921000    
 C    3.746700       2.127300     -0.1066000    
 C    3.011900       1.027700      0.3028000    
 C   0.5311000       3.364300      0.7379000    
 C   0.8247000       2.405200      -1.560700    
 C   -4.863500       1.843900      0.2311000    
 C    5.121300       2.051600     -0.2416000    
 C    3.609500     -0.1838000      0.5932000    
 C   -4.104100      0.5822000     -4.9000001E-03
 C    5.747000      0.8339000      3.8100000E-02
 C   -4.180000       2.719300       1.327000    
 C   -6.341900       1.658400      0.7090000    
 C   -4.952200       2.702300      -1.068800    
 C    4.995300     -0.2770000      0.4539000    
 C   -2.777300      0.6360000     -0.4319000    
 C   -4.721500     -0.6517000      0.2004000    
 C   -2.685000      -1.778300     -0.4482000    
 C   -2.067800     -0.5443000     -0.6536000    
 C   -4.011900      -1.831900     -2.1299999E-02
 C   -1.922100      -3.048000     -0.6869000    
 C    2.414700      -2.085000     -4.1099999E-02
 C    1.091000      -4.151400     -0.3861000    
 H    2.995900       3.786100      -1.256200    
 H    3.010500       4.012600      0.5152000    
 H   0.3370000       4.373000      0.3593000    
 H  -0.4258000       2.841500      0.8455000    
 H   0.9516000       3.445100       1.746700    
 H  -0.1106000       1.845300      -1.481200    
 H   0.6145000       3.368300      -2.036900    
 H    1.473000       1.824900      -2.227100    
 H    5.703800       2.912500     -0.5512000    
 H   -4.753400       3.632700       1.522800    
 H   -4.094900       2.166300       2.269800    
 H   -3.170900       3.028600       1.033100    
 H   -6.391200       1.121900       1.663700    
 H   -6.937600       1.110900     -3.0700000E-02
 H   -6.832400       2.627700      0.8608000    
 H   -5.433100       2.137600      -1.876200    
 H   -3.962600       3.009500      -1.424500    
 H   -5.534400       3.616400     -0.9040000    
 H    6.825400      0.7460000     -6.1299998E-02
 H    5.504700      -1.212800      0.6698000    
 H   -2.277100       1.584700     -0.5975000    
 H   -5.749100     -0.7513000      0.5318000    
 H   -1.033200     -0.4917000     -0.9824000    
 H   -4.502400      -2.787500      0.1439000    
 H   -1.198800      -2.886300      -1.495100    
 H   -2.611200      -3.837000      -1.016700    
 H    1.591100      -3.237600       1.467000    
 H    1.829000      -4.949300     -0.5105000    
 H   0.8697000      -3.740000      -1.374600    


%chk=000055528-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055528

0 1
S -0.418329 -4.682320 0.920270
O 1.804871 1.084563 0.229016
O 3.247757 -1.477672 0.838961
O -1.124724 -3.009123 0.841621
O 2.024358 -1.907744 -1.156361
N 2.117687 -3.427660 0.641825
C 1.471047 2.460783 -0.382964
C 2.860166 3.161162 -0.566487
C 3.860848 2.025338 -0.428015
C 3.171919 0.880538 0.042996
C 0.556399 3.160792 0.625943
C 0.785891 2.171535 -1.728796
C -5.222910 1.974886 0.346069
C 5.248826 1.994037 -0.637724
C 3.871757 -0.314156 0.299760
C -4.282563 0.771295 0.096384
C 5.957220 0.794221 -0.370166
C -5.089947 2.432329 1.830487
C -6.709557 1.628534 0.076013
C -4.817257 3.150783 -0.593512
C 5.268648 -0.348225 0.095968
C -2.880284 0.915078 0.292998
C -4.753656 -0.498410 -0.324178
C -2.471251 -1.417740 -0.343408
C -1.986713 -0.151298 0.075280
C -3.863891 -1.575540 -0.534092
C -1.525024 -2.573331 -0.545794
C 2.400742 -2.243011 -0.011373
C 1.267512 -4.430000 0.049361
H 2.920092 3.663748 -1.548296
H 3.022906 3.929277 0.214098
H 0.267862 4.159676 0.250076
H -0.361247 2.572045 0.791680
H 1.067880 3.283580 1.596029
H -0.118178 1.557422 -1.581464
H 0.492520 3.118272 -2.219831
H 1.468573 1.622436 -2.400781
H 5.779112 2.882336 -0.998071
H -5.751926 3.297450 2.024172
H -5.373541 1.616208 2.519711
H -4.055684 2.734640 2.073851
H -7.067552 0.817746 0.737122
H -6.874762 1.321428 -0.973368
H -7.337788 2.517817 0.267388
H -4.909226 2.855410 -1.654783
H -3.773814 3.470174 -0.420307
H -5.473265 4.024385 -0.418066
H 7.039622 0.747229 -0.525650
H 5.800748 -1.281424 0.307008
H -2.480501 1.881087 0.623615
H -5.822982 -0.659785 -0.488406
H -0.910925 -0.017228 0.243962
H -4.257962 -2.550539 -0.846715
H -0.607328 -2.273064 -1.089487
H -2.015394 -3.415684 -1.069512
H 2.445343 -3.528261 1.603924
H 1.714296 -5.439682 0.106856
H 1.091178 -4.158241 -1.001636


