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	hartrees
Energy at 0K	-63.913444
Energy at 298.15K	-63.914689
HF Energy	-63.913444
Nuclear repulsion energy	23.760020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3071	3021	29.21
2	A₁	2792	2746	8.49
3	A₁	1511	1486	52.47
4	A₁	1267	1246	23.34
5	B₁	743	730	131.62
6	B₁	684	673	0.94
7	B₂	3132	3081	7.11
8	B₂	927	911	51.64
9	B₂	440	433	14.27

Atom	y (Å)	z (Å)
C1	0.000	0.591
B2	0.000	-0.790
H3	0.922	1.191
H4	-0.922	1.191
H5	0.000	-1.979

	C1	B2	H3	H4	H5
C1		1.3810	1.0998	1.0998	2.5701
B2	1.3810		2.1846	2.1846	1.1891
H3	1.0998	2.1846		1.8440	3.3010
H4	1.0998	2.1846	1.8440		3.3010
H5	2.5701	1.1891	3.3010	3.3010

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	123.033
B2	C1	H4	123.033		H4	C1	H3	113.933

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: LSDA/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	-0.824
2	B	0.274
3	H	0.224
4	H	0.224
5	H	0.103

	x	y	z	Total
	0.000	0.000	-0.101	0.101
CHELPG
AIM
ESP

<r²>	21.685
(<r²>)^1/2	4.657

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: LSDA/3-21G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)