5 Atom Molecules

Click image for coordinates, property components,
and rotational constants

RCCSD(T)/aug-cc-pVTZ calculations


Species State Stucture μ (D) α (Å3)
C5 1Σg+ 0.000 11.164
C4H 2Σ+ 0.866 7.151
C4N 2Π 0.060 8.749
C4P 2Π 4.191 12.764
C4O 3Σ- 2.865 9.209
C4S 3Σ- 4.628 13.697
HC3N 1Σ+ 3.788 5.848
HCNCC 1Σ+ 7.517 7.783
HCCNC 1Σ+ 2.990 6.221
SiC3H 2Π 0.650 11.848
SiC4 1Σ+ 6.442 16.135
CH2CN 2B1 3.499 4.382
H2CCO 1A1 1.415 4.301
H2C3 1A1 4.168 5.609
c-C3H2 1A1 3.411 4.583
c-SiC2H2 1A1 1.005 7.462
C2H3 2A' 0.681 3.856
HCOOH 1A' 1.450 3.317
CH2NH 1A' 2.035 3.327
CH2PH 1A' 0.891 6.044
HNCCC 1A' 5.679 7.332
HCOCN 1A' 2.510 4.641
CH4 1A1 0.000 2.447
HC3H 3B 0.476 2.581
NH2CN 1A' 4.369 3.947
SiH4 1A1 0.000 4.588
SiCH3 2A" 1.070 7.426


Updated 9 July 2009