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	hartrees
Energy at 0K	-76.794166
Energy at 298.15K	-76.794087
Nuclear repulsion energy	24.094692

	hartrees
Energy at 0K	-76.760646
Energy at 298.15K	-76.760757
HF Energy	-76.760646
Nuclear repulsion energy	23.469415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	2894	9.72
2	A₁	1583	1426	0.05
3	A₁	1401	1262	9.85
4	B₁	876	789	38.93
5	B₂	3293	2967	8.51
6	B₂	1081	974	0.33

Atom	y (Å)	z (Å)
C1	0.000	-0.492
C2	0.000	0.842
H3	0.922	-1.051
H4	-0.922	-1.051

	C1	C2	H3	H4
C1		1.3347	1.0776	1.0776
C2	1.3347		2.1055	2.1055
H3	1.0776	2.1055		1.8434
H4	1.0776	2.1055	1.8434

All results from a given calculation for CCH₂ (vinylidene)

using model chemistry: ROHF/cc-pVTZ

States and conformations

State 1 (¹A₁)

State 2 (³B₂)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.245
2	C	-0.051
3	H	0.148
4	H	0.148

	x	y	z	Total
	0.000	0.000	-0.522	0.522
CHELPG
AIM
ESP

<r²>	17.389
(<r²>)^1/2	4.170

All results from a given calculation for CCH2 (vinylidene)

using model chemistry: ROHF/cc-pVTZ

States and conformations

State 1 (1A1)

State 2 (3B2)

All results from a given calculation for CCH₂ (vinylidene)

State 1 (¹A₁)

State 2 (³B₂)