%chk=000116899.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116899

0 1
 S   -5.530200       1.466300      2.6900001E-02
 O   -5.685700       2.613000     -0.8565000    
 O   -6.560500      0.4374000      6.3800000E-02
 O   -3.335400      -3.248800      0.4865000    
 O   -1.283000      -3.148000     -0.2858000    
 N    3.634000     -0.2972000      9.1899998E-02
 N    3.444900      -1.181500       1.141100    
 N   0.4728000     -0.9527000     -0.2205000    
 N  -0.3000000      -1.061600      -1.200600    
 N    2.554000      0.1366000      -2.070800    
 N   -2.386200      -2.611600     -2.7500000E-02
 C    1.774500      -1.541700     -0.4836000    
 C    2.404900      -1.899000      0.8333000    
 C    2.707400     -0.4440000     -0.9318000    
 C   -3.994500      0.7163000     -0.3306000    
 C   -5.347700       2.076300       1.687600    
 C    4.718900      0.6191000      0.1779000    
 C   -3.793900     -0.6337000     -4.2399999E-02
 C   -1.543900     -0.4810000     -0.9018000    
 C   -2.567100      -1.233000     -0.3283000    
 C   -2.968300       1.466900     -0.9046000    
 C    1.868500      -2.987900       1.698100    
 C   -1.741700      0.8675000      -1.190600    
 C   -6.605300       2.766600       2.166100    
 C    4.969800       1.537200     -0.8573000    
 C    5.566000      0.6279000       1.300300    
 C    6.033900       2.435100     -0.7731000    
 C    6.630000       1.526000       1.384500    
 C    6.863900       2.429500      0.3478000    
 H    1.773200      -2.393900      -1.169600    
 H   -5.113300       1.223800       2.332100    
 H   -4.504700       2.773800       1.695100    
 H   -4.602000      -1.201300      0.4118000    
 H   -3.099900       2.521200      -1.131000    
 H   0.8707000      -2.715500       2.051300    
 H    2.522600      -3.147400       2.559100    
 H    1.804000      -3.912500       1.118800    
 H  -0.9481000       1.461000      -1.637200    
 H   -6.471100       3.136500       3.187200    
 H   -6.857600       3.618400       1.526300    
 H   -7.459500       2.082100       2.162200    
 H    4.361600       1.592500      -1.751300    
 H    5.417400     -5.9700001E-02   2.129000    
 H    1.742000     -0.2525000      -2.562100    
 H    6.216700       3.139300      -1.579500    
 H    7.276700       1.522300       2.257100    
 H    7.692300       3.128800      0.4135000    


%chk=000116899-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116899

0 1
S -5.526798 2.042109 -0.075213
O -5.070817 3.614540 -0.028132
O -6.460581 1.424829 -1.268184
O -3.768558 -2.816325 -1.679434
O -1.790021 -3.177739 -0.590089
N 3.925994 -0.327090 0.122416
N 3.956370 -1.162428 1.284943
N 0.605531 -0.979495 0.607164
N -0.279379 -1.087550 -0.334991
N 2.406593 0.172719 -1.696690
N -2.768615 -2.419693 -0.966860
C 1.911846 -1.548084 0.169625
C 2.831930 -1.847544 1.339890
C 2.732464 -0.469045 -0.610513
C -3.919086 1.023964 -0.046941
C -6.414812 1.645770 1.618884
C 5.060430 0.502666 -0.139494
C -3.952859 -0.286913 -0.536002
C -1.518205 -0.410623 -0.111003
C -2.740713 -1.004965 -0.538893
C -2.742710 1.657723 0.392778
C 2.517695 -2.798328 2.450471
C -1.536469 0.932716 0.351239
C -7.729984 2.416891 1.649801
C 5.088832 1.357611 -1.272827
C 6.165653 0.460475 0.752312
C 6.224846 2.163674 -1.500373
C 7.289162 1.274544 0.505364
C 7.329359 2.131343 -0.619930
H 1.746421 -2.419835 -0.493791
H -6.532714 0.550295 1.603639
H -5.682302 1.964145 2.377859
H -4.870413 -0.744273 -0.921026
H -2.776978 2.701983 0.722435
H 1.589493 -2.490083 2.967717
H 3.342633 -2.825544 3.179711
H 2.347451 -3.821927 2.065787
H -0.590281 1.391684 0.653620
H -8.253243 2.202712 2.599927
H -7.556854 3.504905 1.589589
H -8.388834 2.113987 0.818165
H 4.233940 1.378057 -1.951953
H 6.129251 -0.202481 1.619008
H 1.471328 -0.090872 -2.061842
H 6.241036 2.820788 -2.377162
H 8.137637 1.237179 1.197812
H 8.206430 2.760425 -0.806013


