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	hartrees
Energy at 0K	-64.659066
Energy at 298.15K	-64.660227
HF Energy	-64.659066
Nuclear repulsion energy	23.913929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3042	12.84
2	A₁	2838	2728	15.45
3	A₁	1515	1456	48.64
4	A₁	1268	1219	8.02
5	B₁	733	705	63.93
6	B₁	635	610	7.74
7	B₂	3232	3107	1.90
8	B₂	913	878	41.68
9	B₂	385	370	2.77

Atom	y (Å)	z (Å)
C1	0.000	0.590
B2	0.000	-0.787
H3	0.915	1.178
H4	-0.915	1.178
H5	0.000	-1.963

	C1	B2	H3	H4	H5
C1		1.3776	1.0870	1.0870	2.5533
B2	1.3776		2.1674	2.1674	1.1757
H3	1.0870	2.1674		1.8292	3.2712
H4	1.0870	2.1674	1.8292		3.2712
H5	2.5533	1.1757	3.2712	3.2712

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.710
B2	C1	H4	122.710		H4	C1	H3	114.580

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3PW91/6-31G(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	-0.406
2	B	0.028
3	H	0.160
4	H	0.160
5	H	0.058

	x	y	z	Total
	0.000	0.000	-0.433	0.433
CHELPG
AIM
ESP

<r²>	21.316
(<r²>)^1/2	4.617

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)