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	hartrees
Energy at 0K	-64.666741
Energy at 298.15K	-64.667888
HF Energy	-64.666741
Nuclear repulsion energy	23.850051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	3042	10.18
2	A₁	2774	2738	22.34
3	A₁	1469	1450	54.11
4	A₁	1248	1232	7.44
5	B₁	703	694	77.71
6	B₁	603	595	2.77
7	B₂	3142	3102	0.89
8	B₂	896	884	34.36
9	B₂	404	399	1.05

Atom	y (Å)	z (Å)
C1	0.000	0.592
B2	0.000	-0.790
H3	0.916	1.181
H4	-0.916	1.181
H5	0.000	-1.967

	C1	B2	H3	H4	H5
C1		1.3824	1.0890	1.0890	2.5593
B2	1.3824		2.1739	2.1739	1.1769
H3	1.0890	2.1739		1.8317	3.2789
H4	1.0890	2.1739	1.8317		3.2789
H5	2.5593	1.1769	3.2789	3.2789

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.529
B2	C1	H4	122.529		H4	C1	H3	114.943

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.823
2	B	0.288
3	H	0.145
4	H	0.145
5	H	0.245

	x	y	z	Total
	0.000	0.000	-0.541	0.541
CHELPG
AIM
ESP

<r²>	21.868
(<r²>)^1/2	4.676

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)