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	hartrees
Energy at 0K	-64.591479
Energy at 298.15K	-64.592640
HF Energy	-64.591479
Nuclear repulsion energy	23.919833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3041	14.33
2	A₁	2841	2719	14.34
3	A₁	1522	1457	49.66
4	A₁	1269	1215	8.33
5	B₁	735	703	64.12
6	B₁	642	614	8.60
7	B₂	3249	3109	2.63
8	B₂	913	873	42.13
9	B₂	380	364	2.81

Atom	y (Å)	z (Å)
C1	0.000	0.590
B2	0.000	-0.787
H3	0.915	1.176
H4	-0.915	1.176
H5	0.000	-1.963

	C1	B2	H3	H4	H5
C1		1.3770	1.0868	1.0868	2.5537
B2	1.3770		2.1659	2.1659	1.1767
H3	1.0868	2.1659		1.8305	3.2703
H4	1.0868	2.1659	1.8305		3.2703
H5	2.5537	1.1767	3.2703	3.2703

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.627
B2	C1	H4	122.627		H4	C1	H3	114.745

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: PBE1PBE/6-31G(2df,p)

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	-0.397
2	B	0.009
3	H	0.163
4	H	0.163
5	H	0.063

	x	y	z	Total
	0.000	0.000	-0.448	0.448
CHELPG
AIM
ESP

<r²>	21.322
(<r²>)^1/2	4.618

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)