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	hartrees
Energy at 0K	-64.282295
Energy at 298.15K	-64.283628
HF Energy	-64.282295
Nuclear repulsion energy	23.869084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3019	14.92
2	A₁	2872	2743	18.55
3	A₁	1539	1470	52.60
4	A₁	1330	1270	9.96
5	B₁	803	767	125.23
6	B₁	721	689	0.21
7	B₂	3224	3079	1.77
8	B₂	967	924	62.91
9	B₂	488	466	7.80

Atom	y (Å)	z (Å)
C1	0.000	0.592
B2	0.000	-0.790
H3	0.914	1.181
H4	-0.914	1.181
H5	0.000	-1.965

	C1	B2	H3	H4	H5
C1		1.3813	1.0880	1.0880	2.5572
B2	1.3813		2.1727	2.1727	1.1759
H3	1.0880	2.1727		1.8289	3.2770
H4	1.0880	2.1727	1.8289		3.2770
H5	2.5572	1.1759	3.2770	3.2770

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.812
B2	C1	H4	122.812		H4	C1	H3	114.376

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B1B95/3-21G*

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	-0.866
2	B	0.349
3	H	0.218
4	H	0.218
5	H	0.081

	x	y	z	Total
	0.000	0.000	-0.306	0.306
CHELPG
AIM
ESP

<r²>	21.580
(<r²>)^1/2	4.645

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)