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	hartrees
Energy at 0K	-64.649091
Energy at 298.15K	-64.650289
HF Energy	-64.649091
Nuclear repulsion energy	23.980249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3031	16.45
2	A₁	2895	2757	16.14
3	A₁	1538	1464	50.17
4	A₁	1274	1214	6.26
5	B₁	762	726	67.63
6	B₁	666	634	3.89
7	B₂	3254	3099	2.29
8	B₂	927	883	41.52
9	B₂	391	372	3.01

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.785
H3	0.915	1.172
H4	-0.915	1.172
H5	0.000	-1.956

	C1	B2	H3	H4	H5
C1		1.3737	1.0850	1.0850	2.5447
B2	1.3737		2.1602	2.1602	1.1710
H3	1.0850	2.1602		1.8299	3.2590
H4	1.0850	2.1602	1.8299		3.2590
H5	2.5447	1.1710	3.2590	3.2590

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.513
B2	C1	H4	122.513		H4	C1	H3	114.974

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: M06-2X/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	-0.397
2	B	0.051
3	H	0.150
4	H	0.150
5	H	0.046

	x	y	z	Total
	0.000	0.000	-0.531	0.531
CHELPG
AIM
ESP

<r²>	21.292
(<r²>)^1/2	4.614

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)