Thiazolidine axial MP2/6-311+G(2d,2p) optimized structure
0 1
C
C,1,B1
S,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
N,4,B4,3,A3,2,D2,0
H,5,B5,4,A4,3,D3,0
H,1,B6,5,A5,4,D4,0
H,1,B7,5,A6,4,D5,0
H,2,B8,1,A7,5,D6,0
H,2,B9,1,A8,5,D7,0
H,4,B10,3,A9,2,D8,0
H,4,B11,3,A10,2,D9,0
Variables:
B1=1.53720346
B2=1.83038247
B3=1.87275094
B4=1.44192677
B5=1.01287232
B6=1.08672927
B7=1.0884507
B8=1.08593891
B9=1.08521404
B10=1.08356241
B11=1.08468312
A1=105.36939621
A2=91.07315178
A3=108.13196761
A4=108.92834716
A5=110.1154593
A6=107.7868495
A7=111.10593959
A8=111.75767577
A9=109.39423601
A10=108.14023649
D1=10.17824568
D2=16.16660866
D3=78.19135163
D4=171.74241824
D5=-70.11319068
D6=83.70363121
D7=-154.1678094
D8=137.70717556
D9=-102.59265254
