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	hartrees
Energy at 0K	-64.683775
Energy at 298.15K	-64.684966
HF Energy	-64.683775
Nuclear repulsion energy	23.860927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3030	7.65
2	A₁	2865	2751	23.16
3	A₁	1531	1471	49.25
4	A₁	1296	1244	3.80
5	B₁	733	704	73.11
6	B₁	622	598	9.66
7	B₂	3216	3088	0.10
8	B₂	926	890	48.99
9	B₂	429	412	3.12

Atom	y (Å)	z (Å)
C1	0.000	0.592
B2	0.000	-0.789
H3	0.917	1.179
H4	-0.917	1.179
H5	0.000	-1.965

	C1	B2	H3	H4	H5
C1		1.3818	1.0889	1.0889	2.5574
B2	1.3818		2.1717	2.1717	1.1757
H3	1.0889	2.1717		1.8347	3.2752
H4	1.0889	2.1717	1.8347		3.2752
H5	2.5574	1.1757	3.2752	3.2752

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.600
B2	C1	H4	122.600		H4	C1	H3	114.800

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	-0.485
2	B	0.110
3	H	0.164
4	H	0.164
5	H	0.047

	x	y	z	Total
	0.000	0.000	-0.427	0.427
CHELPG
AIM
ESP

<r²>	21.419
(<r²>)^1/2	4.628

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)