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	hartrees
Energy at 0K	-64.640379
Energy at 298.15K	-64.641579
HF Energy	-64.553125
Nuclear repulsion energy	23.965025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3032	12.94
2	A₁	2857	2746	18.50
3	A₁	1505	1446	55.12
4	A₁	1282	1232	5.48
5	B₁	733	705	76.98
6	B₁	645	620	2.41
7	B₂	3222	3096	1.85
8	B₂	921	885	38.10
9	B₂	409	393	0.77

Atom	y (Å)	z (Å)
C1	0.000	0.591
B2	0.000	-0.786
H3	0.914	1.171
H4	-0.914	1.171
H5	0.000	-1.955

	C1	B2	H3	H4	H5
C1		1.3773	1.0830	1.0830	2.5458
B2	1.3773		2.1607	2.1607	1.1685
H3	1.0830	2.1607		1.8288	3.2571
H4	1.0830	2.1607	1.8288		3.2571
H5	2.5458	1.1685	3.2571	3.2571

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.403
B2	C1	H4	122.403		H4	C1	H3	115.194

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B2PLYP/aug-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	-0.746
2	B	-0.157
3	H	0.437
4	H	0.437
5	H	0.030

	x	y	z	Total
	0.000	0.000	-0.639	0.639
CHELPG
AIM
ESP

<r²>	21.748
(<r²>)^1/2	4.663

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)