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	hartrees
Energy at 0K	-64.664544
Energy at 298.15K	-64.665716
HF Energy	-64.664544
Nuclear repulsion energy	23.941626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3038	13.10
2	A₁	2850	2721	15.17
3	A₁	1524	1455	49.62
4	A₁	1276	1218	7.69
5	B₁	740	706	65.03
6	B₁	645	615	7.60
7	B₂	3252	3105	2.17
8	B₂	916	875	42.80
9	B₂	387	369	2.66

Atom	y (Å)	z (Å)
C1	0.000	0.590
B2	0.000	-0.786
H3	0.914	1.176
H4	-0.914	1.176
H5	0.000	-1.961

	C1	B2	H3	H4	H5
C1		1.3762	1.0854	1.0854	2.5508
B2	1.3762		2.1642	2.1642	1.1746
H3	1.0854	2.1642		1.8279	3.2668
H4	1.0854	2.1642	1.8279		3.2668
H5	2.5508	1.1746	3.2668	3.2668

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.645
B2	C1	H4	122.645		H4	C1	H3	114.710

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: mPW1PW91/6-31G(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	-0.409
2	B	0.022
3	H	0.163
4	H	0.163
5	H	0.061

	x	y	z	Total
	0.000	0.000	-0.455	0.455
CHELPG
AIM
ESP

<r²>	21.280
(<r²>)^1/2	4.613

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)