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	hartrees
Energy at 0K	-64.672710
Energy at 298.15K	-64.673939
HF Energy	-64.672710
Nuclear repulsion energy	24.016598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3023	18.07
2	A₁	2879	2749	20.51
3	A₁	1531	1462	57.32
4	A₁	1278	1221	7.02
5	B₁	758	724	85.93
6	B₁	672	642	0.95
7	B₂	3233	3088	3.74
8	B₂	924	882	41.93
9	B₂	414	396	2.01

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.783
H3	0.916	1.168
H4	-0.916	1.168
H5	0.000	-1.952

	C1	B2	H3	H4	H5
C1		1.3718	1.0836	1.0836	2.5404
B2	1.3718		2.1555	2.1555	1.1686
H3	1.0836	2.1555		1.8311	3.2515
H4	1.0836	2.1555	1.8311		3.2515
H5	2.5404	1.1686	3.2515	3.2515

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.333
B2	C1	H4	122.333		H4	C1	H3	115.333

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: M06-2X/cc-pVTZ

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	-0.436
2	B	0.099
3	H	0.149
4	H	0.149
5	H	0.039

	x	y	z	Total
	0.000	0.000	-0.651	0.651
CHELPG
AIM
ESP

<r²>	21.556
(<r²>)^1/2	4.643

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: M06-2X/cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)