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	hartrees
Energy at 0K	-64.587245
Energy at 298.15K	-64.588356
HF Energy	-64.587245
Nuclear repulsion energy	23.787699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3068	3036	11.16
2	A₁	2760	2731	21.37
3	A₁	1479	1463	55.78
4	A₁	1241	1228	11.82
5	B₁	685	678	81.85
6	B₁	584	578	18.20
7	B₂	3130	3098	0.85
8	B₂	896	887	43.55
9	B₂	395	390	4.88

Atom	y (Å)	z (Å)
C1	0.000	0.592
B2	0.000	-0.790
H3	0.921	1.185
H4	-0.921	1.185
H5	0.000	-1.973

	C1	B2	H3	H4	H5
C1		1.3829	1.0955	1.0955	2.5655
B2	1.3829		2.1801	2.1801	1.1826
H3	1.0955	2.1801		1.8421	3.2901
H4	1.0955	2.1801	1.8421		3.2901
H5	2.5655	1.1826	3.2901	3.2901

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.778
B2	C1	H4	122.778		H4	C1	H3	114.444

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBEPBEultrafine/6-311G*

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	-0.763
2	B	0.188
3	H	0.219
4	H	0.219
5	H	0.137

	x	y	z	Total
	0.000	0.000	-0.370	0.370
CHELPG
AIM
ESP

<r²>	21.791
(<r²>)^1/2	4.668

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)