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	hartrees
Energy at 0K	-64.570001
Energy at 298.15K	-64.571094
HF Energy	-64.570001
Nuclear repulsion energy	23.704647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3096	3051	11.44
2	A₁	2794	2754	22.47
3	A₁	1489	1467	48.40
4	A₁	1249	1231	7.65
5	B₁	690	680	67.61
6	B₁	570	562	18.82
7	B₂	3159	3114	0.97
8	B₂	897	884	43.18
9	B₂	392	386	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		1.8465	3.2998
H4	1.0967	2.1861	1.8465		3.2998
H5	2.5760	1.1864	3.2998	3.2998

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.664
B2	C1	H4	122.664		H4	C1	H3	114.672

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBEPBE/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: PBEPBE/6-31G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)