Molecular Structure Calculations-

Triatomics

C₃ HCC^- HNC HCO HCO⁺ HOC HOC⁺ CCO CCO cyclic CCO triplet

HCN     HCN triplet     HNC     LiCN     FCN     FNO     FON     NF₂^-     HN₂^-     N₂H⁺
CN₂ singlet     CN₂ triplet     NCN^2-     CNN triplet     CNN⁺
N₃ radical     N₃ quartet     N₃^-     N₃³⁺ singlet     N₃³⁺ triplet     CNO quartet     CNO^-     NCO     NCO^-

Li₂O     HCO     HCO⁺     HOC     HOC⁺     HON     HNO     HNO triplet
CO₂     cyclic CO₂     CO₂^-     NCO     NCO^-     OCS     OCS²⁺
NO₂     NO₂⁺     NO₂^-     NO₂^- triplet     NO₂²⁺     NOO^-     N₂O     cyclic N₂O     cyclic NOP     NOCl     ONCl     NClO
HOO radical     HO₂^-     O₃     O₃^-     O₃^2-
HFO    HOF    FO₂^-    SiO₂     Si₂O     SO₂     S₂O bent     S₂O cyclic     HClO    FClO     FClO₂     FOCl
ClO₂     ClO₂⁺     ClO₂^-     ClOO     ClOO^-
K₂O

FHF^- FCN HFO HOF FBO FNO FON OF₂ FOO• F₃^-
FClO FClO₂ FOCl ClF₂⁺

H₂S    Li₂S
HCS⁺     HSC⁺     HOS^-     HSO^-     NCS^-     CNS^-     NSC^-     SCN⁺     CNS⁺     OCS     OCS²⁺     OCS cyclic     CS₂     CS₂²⁺
S₂O bent     S₂O cyclic
NSF     SNF     SFN     SCl₂²⁺

BeCl₂     BeCl₂²⁺
CHCl singlet     CHCl triplet     CHCl²⁺     HNCl⁺     NCl₂     ClCN     NOCl     ONCl     ClOP
HOCl     HOCl⁺•     OCl₂     ClClO
SiClBr     PCl₃     Cl₃^-     FClO     FClO₂     FOCl     ClF₂⁺

CHBr singlet CHBr triplet HOBr SiClBr

BeH₂     CH₂ singlet     CH₂ triplet     H₂O     MgH₂    H₂S
LiCH     CHCl singlet     CHCl triplet
LiOH    HON     HNO     HNO triplet     HOF     HOO     HOCl     HOCl⁺•     HOBr     NaOH
H₃⁺     BH₂⁺    NH₂⁺    H₂F⁺     H₂Cl⁺     AlH₂⁺    PH₂⁺
HCO     HCO⁺     HOC     HOC⁺
BeHO^-    HOBe^-    HO₂^-    MgHO^-    HOMg^-    HOS^-    HSO^-

This work was supported by an Academic Research Infrastructure Grant from the National Science Foundation, no. 9512457.