8 Atom Molecules

Click image for coordinates, property components,
and rotational constants

RCCSD(T)/aug-cc-pVTZ' calculations
RCCSD(T)/aug-cc-pVDZ calculations


Species State Stucture μ (D) α (Å3)
C8 1Σg+ 0.000 23.959
C6H2 1Σg+ 0.000 11.946
C6N2 1Σg+ 0.000 14.419
C7H 2Π 5.837 17.372
C7N 2Π 0.871 18.945
SiC6H 2Π 1.027 21.715
HC6N 3Σ- 4.894 15.066
H2C6 1A2 6.150 15.153
CH3C3N 1A' 5.041 8.008
CH2CCHCN 1A' 4.266 8.136
HCCCH2CN 1A' 3.621 7.175
CH3COOH 1A' 1.679 5.022
CH3OCHO 1A' 1.809 5.015
HCOCH2OH 1A' 2.540 5.034
CH2CHC2H 1A' 0.405 7.262


Updated 11 November 2009