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	hartrees
Energy at 0K	-63.875923
Energy at 298.15K	-63.877165
HF Energy	-63.875923
Nuclear repulsion energy	24.068617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3375	3012	54.84
2	A₁	3169	2828	9.21
3	A₁	1681	1500	46.99
4	A₁	1437	1283	1.67
5	B₁	851	760	36.45
6	B₁	717	640	7.53
7	B₂	3486	3111	12.35
8	B₂	988	882	87.87
9	B₂	504	450	1.28

Atom	y (Å)	z (Å)
C1	0.000	0.580
B2	0.000	-0.779
H3	0.918	1.179
H4	-0.918	1.179
H5	0.000	-1.941

	C1	B2	H3	H4	H5
C1		1.3593	1.0965	1.0965	2.5205
B2	1.3593		2.1631	2.1631	1.1612
H3	1.0965	2.1631		1.8364	3.2521
H4	1.0965	2.1631	1.8364		3.2521
H5	2.5205	1.1612	3.2521	3.2521

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	123.129
B2	C1	H4	123.129		H4	C1	H3	113.742

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3LYP/STO-3G

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	-0.343
2	B	0.195
3	H	0.085
4	H	0.085
5	H	-0.023

	x	y	z	Total
	0.000	0.000	-0.273	0.273
CHELPG
AIM
ESP

<r²>	20.510
(<r²>)^1/2	4.529

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)