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	hartrees
Energy at 0K	-64.577517
Energy at 298.15K	-64.578596
HF Energy	-64.577517
Nuclear repulsion energy	23.776812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3096	3064	15.37
2	A₁	2782	2753	13.31
3	A₁	1476	1461	45.02
4	A₁	1225	1213	10.97
5	B₁	696	689	55.86
6	B₁	585	579	10.85
7	B₂	3160	3128	2.60
8	B₂	891	881	35.04
9	B₂	358	354	3.64

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.792
H3	0.919	1.187
H4	-0.919	1.187
H5	0.000	-1.974

	C1	B2	H3	H4	H5
C1		1.3846	1.0944	1.0944	2.5672
B2	1.3846		2.1820	2.1820	1.1827
H3	1.0944	2.1820		1.8378	3.2925
H4	1.0944	2.1820	1.8378		3.2925
H5	2.5672	1.1827	3.2925	3.2925

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.901
B2	C1	H4	122.901		H4	C1	H3	114.199

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBEPBE/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	-0.353
2	B	0.001
3	H	0.146
4	H	0.146
5	H	0.062

	x	y	z	Total
	0.000	0.000	-0.318	0.318
CHELPG
AIM
ESP

<r²>	21.509
(<r²>)^1/2	4.638

All results from a given calculation for CH2BH (methyleneborane)

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

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)