%chk=000047209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047209

0 1
 S  -0.7483000       1.708500     -0.7269000    
 O  -0.9582000       1.621500      -2.159500    
 O  -0.7181000       3.006700     -7.9200000E-02
 O   -3.246100      -1.206500      0.3848000    
 O   -2.383400     -0.7368000      -1.682100    
 O    4.827700      -1.911300     -0.4221000    
 O    5.087100     -0.6946000       1.386500    
 N   -1.857600      0.6755000      0.1279000    
 N    4.428400      -1.024100      0.3705000    
 C   0.7902000      0.8966000     -0.4007000    
 C   -2.030300      0.9653000       1.583200    
 C    1.233100     -8.2500003E-02  -1.271400    
 C    1.518400       1.257200      0.7186000    
 C   -2.499800     -0.4647000     -0.4924000    
 C   -3.227000       1.869600       1.824500    
 C    2.445400     -0.7229000      -1.014200    
 C    2.730600      0.6170000      0.9759000    
 C    3.194100     -0.3731000      0.1094000    
 C   -3.906600      -2.351600     -0.1655000    
 C   -4.679700      -3.050000      0.9328000    
 H   -2.138000      3.0900000E-02   2.144200    
 H   -1.131200       1.439200       1.988400    
 H   0.6614000     -0.3745000      -2.146800    
 H    1.175800       2.025100       1.404800    
 H   -3.117300       2.824300       1.301100    
 H   -4.150100       1.400000       1.469400    
 H   -3.338300       2.076400       2.893300    
 H    2.774300      -1.490700      -1.710000    
 H    3.287300      0.9154000       1.860500    
 H   -4.594400      -2.031100     -0.9559000    
 H   -3.161200      -3.035600     -0.5859000    
 H   -5.198200      -3.931800      0.5463000    
 H   -4.007400      -3.360100       1.739700    
 H   -5.416500      -2.372100       1.376100    


%chk=000047209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047209

0 1
S -0.624568 1.783272 -0.174975
O -1.096833 2.070429 -1.693246
O -0.436486 3.003195 0.882338
O -3.242367 -1.170125 0.685876
O -1.513157 -0.995843 -0.898312
O 4.969117 -1.962523 -1.277449
O 5.522026 -1.012835 0.721770
N -1.857804 0.658868 0.731827
N 4.716535 -1.201877 -0.267618
C 0.995222 0.800556 -0.190548
C -2.670258 1.301791 1.786844
C 1.266383 -0.025119 -1.292865
C 1.876702 1.018807 0.880963
C -2.157539 -0.533335 0.080062
C -3.941691 1.993041 1.260231
C 2.510685 -0.687770 -1.316945
C 3.116200 0.347078 0.855759
C 3.404798 -0.494043 -0.240910
C -3.594517 -2.507572 0.104690
C -4.801853 -3.012254 0.885972
H -2.921083 0.503994 2.508769
H -2.014823 2.032896 2.294747
H 0.529577 -0.148640 -2.089417
H 1.610739 1.705780 1.689957
H -3.688701 2.815289 0.568415
H -4.593343 1.272847 0.737264
H -4.508172 2.422107 2.106680
H 2.790894 -1.347941 -2.141093
H 3.851790 0.467412 1.654693
H -3.808236 -2.369366 -0.969901
H -2.716011 -3.169876 0.203630
H -5.108271 -3.999488 0.494802
H -4.563476 -3.123078 1.957419
H -5.655379 -2.320479 0.785869


