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	hartrees
Energy at 0K	-64.661935
Energy at 298.15K	-64.663121
HF Energy	-64.661935
Nuclear repulsion energy	23.928469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	3173	10.26
2	A₁	2836	2836	18.07
3	A₁	1527	1527	51.44
4	A₁	1281	1281	6.40
5	B₁	752	752	70.60
6	B₁	656	656	2.77
7	B₂	3245	3245	1.05
8	B₂	903	903	45.32
9	B₂	393	393	1.90

Atom	y (Å)	z (Å)
C1	0.000	0.591
B2	0.000	-0.786
H3	0.915	1.175
H4	-0.915	1.175
H5	0.000	-1.962

	C1	B2	H3	H4	H5
C1		1.3770	1.0860	1.0860	2.5523
B2	1.3770		2.1646	2.1646	1.1752
H3	1.0860	2.1646		1.8307	3.2676
H4	1.0860	2.1646	1.8307		3.2676
H5	2.5523	1.1752	3.2676	3.2676

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.560
B2	C1	H4	122.560		H4	C1	H3	114.879

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

	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	-0.390
2	B	0.016
3	H	0.158
4	H	0.158
5	H	0.058

	x	y	z	Total
	0.000	0.000	-0.501	0.501
CHELPG
AIM
ESP

<r²>	21.314
(<r²>)^1/2	4.617

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)