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	hartrees
Energy at 0K	-64.608860
Energy at 298.15K	-64.610055
HF Energy	-64.534503
Nuclear repulsion energy	23.773262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3163	3163	12.09
2	A₁	2846	2846	17.97
3	A₁	1498	1498	54.16
4	A₁	1270	1270	6.05
5	B₁	731	731	79.06
6	B₁	629	629	2.74
7	B₂	3239	3239	1.32
8	B₂	915	915	34.67
9	B₂	415	415	0.55

Atom	y (Å)	z (Å)
C1	0.000	0.596
B2	0.000	-0.792
H3	0.923	1.179
H4	-0.923	1.179
H5	0.000	-1.971

	C1	B2	H3	H4	H5
C1		1.3879	1.0924	1.0924	2.5665
B2	1.3879		2.1772	2.1772	1.1786
H3	1.0924	2.1772		1.8465	3.2828
H4	1.0924	2.1772	1.8465		3.2828
H5	2.5665	1.1786	3.2828	3.2828

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.307
B2	C1	H4	122.307		H4	C1	H3	115.386

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B2PLYP/aug-cc-pVDZ

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	0.693
2	B	-0.478
3	H	-0.360
4	H	-0.360
5	H	0.505

	x	y	z	Total
	0.000	0.000	-0.657	0.657
CHELPG
AIM
ESP

<r²>	22.038
(<r²>)^1/2	4.694

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)