%chk=000100085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100085

0 1
 S   -6.190600      -1.840100      -1.588400    
 O  -0.9901000      0.8397000      -1.289800    
 O    2.975800      0.2554000      0.3621000    
 O   -4.498500       2.394900       1.440000    
 O    1.750700       1.351400       1.966100    
 O   -5.585700       2.971600     -0.4569000    
 N   0.7633000     -0.1269000      0.4747000    
 N   -2.741500      0.8444000      0.2341000    
 C   -1.175300      -1.372600       1.430400    
 C  -0.5953000     -2.2600001E-02  0.9435000    
 C   -1.290300      -2.409400      0.2910000    
 C  -0.3443000      -1.912000       2.602100    
 C   -1.434700      0.6067000     -0.1675000    
 C   -3.749500       1.403700     -0.6375000    
 C   -1.953600      -3.712000      0.7203000    
 C   -4.481400      0.3122000      -1.430500    
 C    1.822300      0.5683000       1.024700    
 C   -5.376300     -0.5782000     -0.5654000    
 C   -4.713900       2.317000      0.1047000    
 C    4.161400      0.9081000      0.8300000    
 C    5.328300      0.4573000      1.3000000E-03
 C   -4.829300      -3.025700      -1.673100    
 C    6.066600     -0.6617000      0.3870000    
 C    5.674500       1.156500      -1.154900    
 C    7.151100      -1.081100     -0.3833000    
 C    6.759100      0.7370000      -1.925200    
 C    7.497300     -0.3819000      -1.539400    
 H   -2.187000      -1.200200       1.818700    
 H  -0.6187000      0.6852000       1.782800    
 H   -1.881000      -1.990300     -0.5312000    
 H  -0.2996000      -2.641200     -0.1171000    
 H  -0.8483000      -2.751700       3.090800    
 H  -0.1992000      -1.138900       3.364500    
 H   0.6419000      -2.256000       2.273300    
 H   0.9543000     -0.7160000     -0.3303000    
 H   -3.222500       2.051000      -1.350500    
 H   -3.012400      0.6435000       1.191600    
 H   -2.920100      -3.523700       1.197800    
 H   -2.123100      -4.351300     -0.1522000    
 H   -1.324300      -4.271800       1.418200    
 H   -5.099000      0.7984000      -2.197800    
 H   -3.736100     -0.2933000      -1.960400    
 H   -6.167300      1.7899999E-02 -9.9799998E-02
 H   -4.813000      -1.060700      0.2397000    
 H    4.328500      0.6600000       1.885500    
 H    4.040100       1.995800      0.7526000    
 H   -5.124300       3.011100       1.877100    
 H   -5.142400      -3.883200      -2.275000    
 H   -4.581000      -3.385000     -0.6724000    
 H   -3.946500      -2.585400      -2.141700    
 H    5.805300      -1.216100       1.284500    
 H    5.105700       2.028400      -1.467000    
 H    7.725700      -1.952600     -8.3400004E-02
 H    7.028400       1.281000      -2.825700    
 H    8.341500     -0.7087000      -2.139400    


%chk=000100085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100085

0 1
S -6.209021 -2.169838 -1.124664
O -1.702055 0.941680 -1.445674
O 2.724899 1.269561 -0.764913
O -4.577723 1.815955 2.310888
O 2.074157 1.141636 1.505020
O -6.086636 2.652113 0.751099
N 0.671649 0.449782 -0.249888
N -2.870330 0.910424 0.560370
C -0.685843 -1.329597 0.956464
C -0.505638 0.188265 0.579926
C -0.882658 -2.215541 -0.302038
C 0.498318 -1.800725 1.830771
C -1.734068 0.719627 -0.192167
C -4.107134 1.424996 -0.048191
C -1.241768 -3.683204 0.018645
C -4.882024 0.354407 -0.887638
C 1.832230 0.961635 0.278871
C -5.346112 -0.859415 -0.067552
C -5.029785 2.040783 0.997296
C 4.069462 1.778329 -0.331203
C 5.064377 0.651269 -0.154210
C -4.719169 -2.875195 -2.037133
C 5.167733 -0.028234 1.087937
C 5.907057 0.262461 -1.226264
C 6.096118 -1.080365 1.249826
C 6.836342 -0.789642 -1.065466
C 6.932806 -1.463125 0.174655
H -1.615811 -1.388677 1.565957
H -0.380106 0.753057 1.525009
H -1.679583 -1.781913 -0.938518
H 0.046356 -2.185364 -0.905259
H 0.319442 -2.816586 2.224383
H 0.661922 -1.122052 2.686475
H 1.433222 -1.819654 1.242124
H 0.518182 0.501041 -1.262713
H -3.832833 2.230372 -0.758679
H -2.850637 0.806857 1.577764
H -2.148809 -3.746558 0.651278
H -1.438239 -4.250493 -0.909878
H -0.424469 -4.199211 0.552422
H -5.753323 0.850136 -1.351594
H -4.200294 0.042653 -1.697765
H -6.106486 -0.579324 0.683151
H -4.502565 -1.346757 0.453308
H 3.929240 2.348208 0.603509
H 4.355557 2.450886 -1.155242
H -5.209018 2.224737 2.961722
H -5.097486 -3.726863 -2.623872
H -3.965751 -3.232071 -1.316476
H -4.279706 -2.129675 -2.717757
H 4.509162 0.268015 1.912337
H 5.832222 0.784085 -2.188525
H 6.170811 -1.598514 2.212562
H 7.484226 -1.080878 -1.899855
H 7.655291 -2.277299 0.302668


