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	hartrees
Energy at 0K	-64.691662
Energy at 298.15K	-64.692841
HF Energy	-64.691662
Nuclear repulsion energy	23.936039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	3041	10.96
2	A₁	2853	2753	14.15
3	A₁	1516	1463	47.04
4	A₁	1276	1232	6.47
5	B₁	740	714	60.89
6	B₁	632	610	5.25
7	B₂	3212	3099	0.92
8	B₂	922	889	40.39
9	B₂	399	385	2.01

Atom	y (Å)	z (Å)
C1	0.000	0.590
B2	0.000	-0.787
H3	0.913	1.178
H4	-0.913	1.178
H5	0.000	-1.959

	C1	B2	H3	H4	H5
C1		1.3766	1.0866	1.0866	2.5481
B2	1.3766		2.1672	2.1672	1.1715
H3	1.0866	2.1672		1.8266	3.2671
H4	1.0866	2.1672	1.8266		3.2671
H5	2.5481	1.1715	3.2671	3.2671

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.808
B2	C1	H4	122.808		H4	C1	H3	114.384

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3LYP/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	-0.336
2	B	0.021
3	H	0.132
4	H	0.132
5	H	0.051

	x	y	z	Total
	0.000	0.000	-0.426	0.426
CHELPG
AIM
ESP

<r²>	21.342
(<r²>)^1/2	4.620

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)