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	hartrees
Energy at 0K	-64.239300
Energy at 298.15K	-64.240645
HF Energy	-64.239300
Nuclear repulsion energy	23.815053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3040	14.43
2	A₁	2863	2758	17.55
3	A₁	1535	1478	52.07
4	A₁	1330	1282	10.04
5	B₁	807	777	126.50
6	B₁	721	694	0.04
7	B₂	3219	3101	2.00
8	B₂	967	931	64.23
9	B₂	498	479	7.55

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.791
H3	0.917	1.184
H4	-0.917	1.184
H5	0.000	-1.970

	C1	B2	H3	H4	H5
C1		1.3845	1.0903	1.0903	2.5633
B2	1.3845		2.1773	2.1773	1.1788
H3	1.0903	2.1773		1.8332	3.2843
H4	1.0903	2.1773	1.8332		3.2843
H5	2.5633	1.1788	3.2843	3.2843

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.789
B2	C1	H4	122.789		H4	C1	H3	114.422

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: HSEh1PBE/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	-0.885
2	B	0.357
3	H	0.223
4	H	0.223
5	H	0.083

	x	y	z	Total
	0.000	0.000	-0.300	0.300
CHELPG
AIM
ESP

<r²>	21.666
(<r²>)^1/2	4.655

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)