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	hartrees
Energy at 0K	-64.600829
Energy at 298.15K	-64.601945
HF Energy	-64.600829
Nuclear repulsion energy	23.831697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3071	3037	16.14
2	A₁	2772	2741	17.74
3	A₁	1472	1456	54.08
4	A₁	1225	1211	11.96
5	B₁	692	685	74.70
6	B₁	606	599	4.54
7	B₂	3131	3096	3.18
8	B₂	887	877	31.68
9	B₂	378	373	1.94

Atom	y (Å)	z (Å)
C1	0.000	0.592
B2	0.000	-0.789
H3	0.919	1.183
H4	-0.919	1.183
H5	0.000	-1.969

	C1	B2	H3	H4	H5
C1		1.3807	1.0930	1.0930	2.5608
B2	1.3807		2.1758	2.1758	1.1800
H3	1.0930	2.1758		1.8385	3.2834
H4	1.0930	2.1758	1.8385		3.2834
H5	2.5608	1.1800	3.2834	3.2834

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.755
B2	C1	H4	122.755		H4	C1	H3	114.491

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBEPBEultrafine/aug-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	-0.562
2	B	-0.157
3	H	0.353
4	H	0.353
5	H	0.013

	x	y	z	Total
	0.000	0.000	-0.482	0.482
CHELPG
AIM
ESP

<r²>	21.885
(<r²>)^1/2	4.678

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)