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	hartrees
Energy at 0K	-64.673531
Energy at 298.15K	-64.674819
HF Energy	-64.673531
Nuclear repulsion energy	23.836942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3037	8.27
2	A₁	2860	2752	23.51
3	A₁	1525	1467	53.40
4	A₁	1322	1272	4.73
5	B₁	788	758	114.74
6	B₁	662	637	0.02
7	B₂	3222	3100	0.01
8	B₂	940	904	55.20
9	B₂	480	462	4.57

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.792
H3	0.915	1.183
H4	-0.915	1.183
H5	0.000	-1.965

	C1	B2	H3	H4	H5
C1		1.3845	1.0890	1.0890	2.5581
B2	1.3845		2.1763	2.1763	1.1736
H3	1.0890	2.1763		1.8306	3.2785
H4	1.0890	2.1763	1.8306		3.2785
H5	2.5581	1.1736	3.2785	3.2785

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.806
B2	C1	H4	122.806		H4	C1	H3	114.388

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3LYP/6-31G

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	-0.504
2	B	0.141
3	H	0.154
4	H	0.154
5	H	0.055

	x	y	z	Total
	0.000	0.000	-0.400	0.400
CHELPG
AIM
ESP

<r²>	21.493
(<r²>)^1/2	4.636

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)