6 Atom Molecules

Click image for coordinates, property components,
and rotational constants

RCCSD(T)/aug-cc-pVTZ calculations


Species State Stucture μ (D) α (Å3)
C6 1Σg+ 0.000 14.316
C4H2 1Σg+ 0.000 7.048
C4N2 1Σg+ 0.000 9.025
C5H 2Π 4.835 10.504
C5N 2Σ+ 3.333 9.430
HC4N 3Σ- 4.297 8.842
SiC4H 2Π 1.092 14.289
C2H4 1A1 0.000 4.009
CH2C2H 2B1 0.115 5.556
H2C4 1A1 4.433 8.122
c-C3H2O 1A1 4.250 5.306
HCOC2H 1A' 2.801 5.660
HCOCNH2 1A' 3.879 4.144
CH3CN 1A' 3.932 4.315
CH3CC 2A' 4.197 7.478
CH3OH 1A' 1.685 3.111
CH2CNH 1A' 1.475 5.251
H2SiC2H 2A' 0.425 7.880


Updated 11 November 2009