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	hartrees
Energy at 0K	-64.557561
Energy at 298.15K	-64.558847
HF Energy	-64.509397
Nuclear repulsion energy	23.793162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3177	8.08
2	A₁	2872	2872	24.76
3	A₁	1523	1523	50.99
4	A₁	1337	1337	2.49
5	B₁	799	799	115.40
6	B₁	639	639	0.09
7	B₂	3247	3247	0.00
8	B₂	949	949	57.34
9	B₂	483	483	3.51

Atom	y (Å)	z (Å)
C1	0.000	0.596
B2	0.000	-0.794
H3	0.916	1.183
H4	-0.916	1.183
H5	0.000	-1.968

	C1	B2	H3	H4	H5
C1		1.3898	1.0880	1.0880	2.5632
B2	1.3898		2.1789	2.1789	1.1735
H3	1.0880	2.1789		1.8317	3.2809
H4	1.0880	2.1789	1.8317		3.2809
H5	2.5632	1.1735	3.2809	3.2809

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.670
B2	C1	H4	122.670		H4	C1	H3	114.661

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: B2PLYP/6-31G

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	-0.526
2	B	0.156
3	H	0.159
4	H	0.159
5	H	0.052

	x	y	z	Total
	0.000	0.000	-0.421	0.421
CHELPG
AIM
ESP

<r²>	21.634
(<r²>)^1/2	4.651

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)