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	hartrees
Energy at 0K	-64.674595
Energy at 298.15K	-64.675757
HF Energy	-64.674595
Nuclear repulsion energy	23.867241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3060	3050	12.21
2	A₁	2791	2781	18.60
3	A₁	1472	1467	53.75
4	A₁	1247	1243	8.17
5	B₁	706	704	75.81
6	B₁	609	607	1.48
7	B₂	3111	3101	1.47
8	B₂	903	900	32.95
9	B₂	410	408	1.13

Atom	y (Å)	z (Å)
C1	0.000	0.591
B2	0.000	-0.789
H3	0.916	1.182
H4	-0.916	1.182
H5	0.000	-1.963

	C1	B2	H3	H4	H5
C1		1.3802	1.0908	1.0908	2.5535
B2	1.3802		2.1745	2.1745	1.1733
H3	1.0908	2.1745		1.8329	3.2760
H4	1.0908	2.1745	1.8329		3.2760
H5	2.5535	1.1733	3.2760	3.2760

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.849
B2	C1	H4	122.849		H4	C1	H3	114.303

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: BLYP/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	-0.604
2	B	-0.145
3	H	0.358
4	H	0.358
5	H	0.032

	x	y	z	Total
	0.000	0.000	-0.504	0.504
CHELPG
AIM
ESP

<r²>	21.938
(<r²>)^1/2	4.684

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)