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	hartrees
Energy at 0K	-64.655681
Energy at 298.15K	-64.656859
HF Energy	-64.655681
Nuclear repulsion energy	24.003387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3035	14.45
2	A₁	2838	2725	20.79
3	A₁	1524	1463	57.22
4	A₁	1268	1218	10.24
5	B₁	726	697	85.79
6	B₁	650	624	8.94
7	B₂	3231	3102	1.91
8	B₂	911	874	47.77
9	B₂	393	377	3.38

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.783
H3	0.915	1.170
H4	-0.915	1.170
H5	0.000	-1.954

	C1	B2	H3	H4	H5
C1		1.3719	1.0845	1.0845	2.5427
B2	1.3719		2.1572	2.1572	1.1708
H3	1.0845	2.1572		1.8309	3.2555
H4	1.0845	2.1572	1.8309		3.2555
H5	2.5427	1.1708	3.2555	3.2555

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.421
B2	C1	H4	122.421		H4	C1	H3	115.159

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B1B95/6-311G**

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	-0.537
2	B	0.220
3	H	0.135
4	H	0.135
5	H	0.048

	x	y	z	Total
	0.000	0.000	-0.514	0.514
CHELPG
AIM
ESP

<r²>	21.459
(<r²>)^1/2	4.632

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)