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	hartrees
Energy at 0K	-64.619082
Energy at 298.15K	-64.620273
HF Energy	-64.619082
Nuclear repulsion energy	23.971422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3033	14.91
2	A₁	2830	2722	18.45
3	A₁	1515	1457	59.01
4	A₁	1268	1220	8.62
5	B₁	732	704	81.47
6	B₁	653	629	1.95
7	B₂	3220	3097	2.88
8	B₂	909	875	37.20
9	B₂	399	384	1.35

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.784
H3	0.915	1.172
H4	-0.915	1.172
H5	0.000	-1.958

	C1	B2	H3	H4	H5
C1		1.3737	1.0852	1.0852	2.5476
B2	1.3737		2.1603	2.1603	1.1739
H3	1.0852	2.1603		1.8303	3.2618
H4	1.0852	2.1603	1.8303		3.2618
H5	2.5476	1.1739	3.2618	3.2618

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.510
B2	C1	H4	122.510		H4	C1	H3	114.981

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: HSEh1PBE/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	-0.645
2	B	-0.146
3	H	0.389
4	H	0.389
5	H	0.013

	x	y	z	Total
	0.000	0.000	-0.599	0.599
CHELPG
AIM
ESP

<r²>	21.646
(<r²>)^1/2	4.652

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)