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	hartrees
Energy at 0K	-64.651251
Energy at 298.15K	-64.652431
HF Energy	-64.651251
Nuclear repulsion energy	23.845112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	3031	9.12
2	A₁	2855	2731	25.46
3	A₁	1529	1463	51.52
4	A₁	1290	1234	5.04
5	B₁	729	698	79.81
6	B₁	625	598	12.36
7	B₂	3235	3095	0.58
8	B₂	920	880	50.83
9	B₂	420	402	4.21

Atom	y (Å)	z (Å)
C1	0.000	0.593
B2	0.000	-0.790
H3	0.918	1.179
H4	-0.918	1.179
H5	0.000	-1.968

	C1	B2	H3	H4	H5
C1		1.3827	1.0889	1.0889	2.5613
B2	1.3827		2.1718	2.1718	1.1786
H3	1.0889	2.1718		1.8363	3.2780
H4	1.0889	2.1718	1.8363		3.2780
H5	2.5613	1.1786	3.2780	3.2780

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.523
B2	C1	H4	122.523		H4	C1	H3	114.953

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3PW91/6-31G*

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	-0.562
2	B	0.131
3	H	0.189
4	H	0.189
5	H	0.054

	x	y	z	Total
	0.000	0.000	-0.429	0.429
CHELPG
AIM
ESP

<r²>	21.400
(<r²>)^1/2	4.626

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)