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	hartrees
Energy at 0K	-64.713735
Energy at 298.15K	-64.714953
HF Energy	-64.713735
Nuclear repulsion energy	23.956271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	3029	12.07
2	A₁	2841	2742	18.27
3	A₁	1515	1462	57.75
4	A₁	1279	1235	7.83
5	B₁	740	715	98.95
6	B₁	647	624	1.87
7	B₂	3198	3087	1.62
8	B₂	922	890	52.18
9	B₂	427	412	2.70

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.786
H3	0.914	1.175
H4	-0.914	1.175
H5	0.000	-1.957

	C1	B2	H3	H4	H5
C1		1.3756	1.0856	1.0856	2.5463
B2	1.3756		2.1639	2.1639	1.1706
H3	1.0856	2.1639		1.8280	3.2627
H4	1.0856	2.1639	1.8280		3.2627
H5	2.5463	1.1706	3.2627	3.2627

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.655
B2	C1	H4	122.655		H4	C1	H3	114.690

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3LYP/TZVP

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	-0.477
2	B	0.217
3	H	0.139
4	H	0.139
5	H	-0.018

	x	y	z	Total
	0.000	0.000	-0.573	0.573
CHELPG
AIM
ESP

<r²>	21.722
(<r²>)^1/2	4.661

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)