%chk=000100974.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100974

0 1
 S    2.995200     -0.9706000       1.019200    
 O   -1.982000       2.021200     -0.2402000    
 O   -1.955500      -2.069100     -8.3499998E-02
 O   -3.238300     -0.2727000      0.5699000    
 N    2.766500       2.054100      0.3889000    
 N    3.641300      -1.691200      -1.663800    
 C  -0.8796000     -3.5799999E-02  0.3146000    
 C  -0.8416000       1.333100      4.8599999E-02
 C    1.552800       1.329100      0.3698000    
 C   0.2988000     -0.7222000      0.6082000    
 C   0.3745000       2.015500      7.6300003E-02
 C    1.515000     -3.9700001E-02  0.6358000    
 C   -2.139100     -0.7664000      0.2899000    
 C   -2.358400       2.103500      -1.613100    
 C   -3.124700      -2.893000     -0.1467000    
 C    3.375000      -1.396000     -0.5739000    
 H   0.2778000      -1.786900      0.8322000    
 H   0.3964000       3.083100     -0.1312000    
 H    3.632300       1.576800      0.6017000    
 H    2.769800       3.046100      0.1923000    
 H   -2.489800       1.105600      -2.043200    
 H   -1.606400       2.660100      -2.181300    
 H   -3.309900       2.638500      -1.675500    
 H   -3.594100      -2.957300      0.8393000    
 H   -2.818400      -3.895300     -0.4574000    
 H   -3.827400      -2.494100     -0.8843000    


%chk=000100974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100974

0 1
S 2.994521 -1.158969 0.969459
O -1.714984 2.355101 -0.526950
O -1.993007 -2.086533 -0.153599
O -3.311491 -0.199056 0.171984
N 2.877189 1.946767 0.688148
N 4.500898 -1.338338 -1.571549
C -0.871954 0.017979 -0.027781
C -0.729302 1.445735 -0.159676
C 1.671872 1.320976 0.440701
C 0.308635 -0.725164 0.262914
C 0.514442 2.063179 0.094088
C 1.540245 -0.107960 0.488342
C -2.168460 -0.696509 -0.006179
C -2.751490 2.012927 -1.522824
C -3.228254 -2.892218 -0.038126
C 3.864418 -1.246935 -0.559725
H 0.221670 -1.811497 0.339031
H 0.567220 3.150029 -0.023251
H 3.703510 1.399427 0.921980
H 2.955451 2.958909 0.644632
H -3.635602 1.596519 -1.019016
H -2.362418 1.284976 -2.258858
H -2.982414 2.967561 -2.020965
H -3.696244 -2.742032 0.949616
H -2.895982 -3.932099 -0.166446
H -3.948270 -2.606374 -0.823350


