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	hartrees
Energy at 0K	-64.715505
Energy at 298.15K	-64.716717
HF Energy	-64.715505
Nuclear repulsion energy	23.993099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	3030	12.51
2	A₁	2840	2745	17.86
3	A₁	1513	1463	54.05
4	A₁	1279	1237	7.36
5	B₁	738	714	82.07
6	B₁	645	624	0.96
7	B₂	3193	3087	1.53
8	B₂	917	887	41.01
9	B₂	420	406	1.33

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.785
H3	0.913	1.173
H4	-0.913	1.173
H5	0.000	-1.954

	C1	B2	H3	H4	H5
C1		1.3733	1.0843	1.0843	2.5422
B2	1.3733		2.1605	2.1605	1.1689
H3	1.0843	2.1605		1.8261	3.2575
H4	1.0843	2.1605	1.8261		3.2575
H5	2.5422	1.1689	3.2575	3.2575

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.635
B2	C1	H4	122.635		H4	C1	H3	114.729

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B3LYPultrafine/cc-pVTZ

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	-0.362
2	B	0.045
3	H	0.131
4	H	0.131
5	H	0.055

	x	y	z	Total
	0.000	0.000	-0.523	0.523
CHELPG
AIM
ESP

<r²>	21.634
(<r²>)^1/2	4.651

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)