%chk=000002111.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002111

0 1
 S   -3.071400     -0.4719000      0.5524000    
 O    1.503000       1.216600       1.368200    
 O    1.708400       1.642100     -0.8505000    
 N    1.126900     -0.9279000      -1.538700    
 C    1.068400     -0.6065000     -0.1076000    
 C  -0.3465000     -0.8867000      0.4523000    
 C    2.103600      -1.487400      0.6059000    
 C   -1.461500     -4.5000002E-02 -0.1777000    
 C    1.460500      0.8603000      5.7700001E-02
 C   -4.091500      0.7064000     -0.3619000    
 H  -0.5771000      -1.953000      0.3167000    
 H  -0.3405000     -0.7095000       1.536800    
 H    2.085800      -1.326400       1.690100    
 H    1.913500      -2.553000      0.4315000    
 H    3.122700      -1.266000      0.2659000    
 H   -1.513700     -0.2230000      -1.256200    
 H   -1.276700       1.020100     -8.2000000E-03
 H   0.8665000      -1.902800      -1.685200    
 H    2.084300     -0.8384000      -1.877900    
 H    1.752400       2.158300       1.482900    
 H   -4.027000      0.5139000      -1.436000    
 H   -3.773200       1.730700     -0.1513000    
 H   -5.134100      0.5967000     -5.1800001E-02


%chk=000002111-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002111

0 1
S -3.094223 -0.431797 0.634534
O 1.453708 1.242004 1.368527
O 2.031092 1.505750 -0.859178
N 1.024567 -0.942998 -1.544195
C 1.083290 -0.664756 -0.099813
C -0.326043 -0.856836 0.554341
C 2.116171 -1.570502 0.651887
C -1.401878 0.036671 -0.077259
C 1.558865 0.788077 0.051903
C -4.168596 0.658206 -0.460410
H -0.604719 -1.919734 0.412375
H -0.253488 -0.667431 1.640243
H 2.157249 -1.331915 1.728451
H 1.811317 -2.627555 0.539521
H 3.125272 -1.452480 0.218090
H -1.419186 -0.117097 -1.168973
H -1.221212 1.103917 0.145540
H 1.072761 -1.933258 -1.790753
H 1.603763 -0.327066 -2.121843
H 1.802916 2.172359 1.423365
H -4.030719 0.388958 -1.520203
H -3.924680 1.721528 -0.303588
H -5.213425 0.473555 -0.165164


