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	hartrees
Energy at 0K	-64.612446
Energy at 298.15K	-64.613621
HF Energy	-64.531030
Nuclear repulsion energy	23.936719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3040	13.13
2	A₁	2879	2750	13.35
3	A₁	1514	1446	45.14
4	A₁	1285	1228	5.75
5	B₁	742	709	59.75
6	B₁	637	608	8.34
7	B₂	3252	3105	1.68
8	B₂	929	887	42.52
9	B₂	389	372	2.05

Atom	y (Å)	z (Å)
C1	0.000	0.591
B2	0.000	-0.788
H3	0.914	1.175
H4	-0.914	1.175
H5	0.000	-1.958

	C1	B2	H3	H4	H5
C1		1.3787	1.0844	1.0844	2.5485
B2	1.3787		2.1650	2.1650	1.1698
H3	1.0844	2.1650		1.8273	3.2631
H4	1.0844	2.1650	1.8273		3.2631
H5	2.5485	1.1698	3.2631	3.2631

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.592
B2	C1	H4	122.592		H4	C1	H3	114.816

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B2PLYP/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	-0.352
2	B	0.011
3	H	0.145
4	H	0.145
5	H	0.050

	x	y	z	Total
	0.000	0.000	-0.461	0.461
CHELPG
AIM
ESP

<r²>	21.362
(<r²>)^1/2	4.622

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)