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	hartrees
Energy at 0K	-64.333045
Energy at 298.15K	-64.334389
HF Energy	-64.333045
Nuclear repulsion energy	23.823974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3025	11.24
2	A₁	2871	2770	15.53
3	A₁	1531	1477	49.28
4	A₁	1334	1287	7.43
5	B₁	801	773	111.94
6	B₁	711	686	0.01
7	B₂	3189	3077	0.70
8	B₂	971	937	59.39
9	B₂	502	484	6.31

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.792
H3	0.915	1.185
H4	-0.915	1.185
H5	0.000	-1.967

	C1	B2	H3	H4	H5
C1		1.3844	1.0902	1.0902	2.5600
B2	1.3844		2.1783	2.1783	1.1756
H3	1.0902	2.1783		1.8304	3.2825
H4	1.0902	2.1783	1.8304		3.2825
H5	2.5600	1.1756	3.2825	3.2825

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.909
B2	C1	H4	122.909		H4	C1	H3	114.181

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3LYPultrafine/3-21G

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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Number	Element	Mulliken
1	C	-0.808
2	B	0.331
3	H	0.197
4	H	0.197
5	H	0.082

	x	y	z	Total
	0.000	0.000	-0.271	0.271
CHELPG
AIM
ESP

<r²>	21.667
(<r²>)^1/2	4.655

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)