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	hartrees
Energy at 0K	-64.570002
Energy at 298.15K	-64.571095
HF Energy	-64.570002
Nuclear repulsion energy	23.704647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	3043	11.49
2	A₁	2795	2749	22.47
3	A₁	1488	1464	48.39
4	A₁	1249	1228	7.65
5	B₁	690	679	67.97
6	B₁	570	561	18.44
7	B₂	3158	3106	0.98
8	B₂	897	882	43.20
9	B₂	392	385	5.39

Atom	y (Å)	z (Å)
C1	0.000	0.596
B2	0.000	-0.794
H3	0.923	1.188
H4	-0.923	1.188
H5	0.000	-1.980

	C1	B2	H3	H4	H5
C1		1.3897	1.0967	1.0967	2.5760
B2	1.3897		2.1861	2.1861	1.1864
H3	1.0967	2.1861		1.8466	3.2997
H4	1.0967	2.1861	1.8466		3.2997
H5	2.5760	1.1864	3.2997	3.2997

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.662
B2	C1	H4	122.662		H4	C1	H3	114.675

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBEPBEultrafine/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	-0.515
2	B	0.107
3	H	0.177
4	H	0.177
5	H	0.055

	x	y	z	Total
	0.000	0.000	-0.318	0.318
CHELPG
AIM
ESP

<r²>	21.581
(<r²>)^1/2	4.646

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)