106-97-8.xyz

14
Buthane; TM def2-QZVP pbe optimized structure; m
C    -0.5698992    0.0010721   -0.5106280 
C    -1.9574388   -0.0010272    0.1310139 
C     0.5699130    0.0010684    0.5106802 
H    -2.1019869   -0.8898549    0.7620598 
H    -2.1011958    0.8826120    0.7695094 
H    -2.7542204    0.0025732   -0.6252247 
H    -0.4643309   -0.8776931   -1.1680830 
H    -0.4658369    0.8818734   -1.1655696 
H     0.4658491    0.8818113    1.1656828 
H     0.4644008   -0.8777422    1.1680681 
C     1.9574251   -0.0010272   -0.1310574 
H     2.7542844    0.0069401    0.6250702 
H     2.1035257   -0.8919972   -0.7587064 
H     2.0995094    0.8804516   -0.7729107