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	hartrees
Energy at 0K	-63.789991
Energy at 298.15K	-63.791239
HF Energy	-63.789991
Nuclear repulsion energy	24.126702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3425	3025	64.15
2	A₁	3193	2820	10.28
3	A₁	1701	1502	49.92
4	A₁	1444	1276	2.49
5	B₁	858	758	39.44
6	B₁	734	649	7.78
7	B₂	3542	3128	16.13
8	B₂	988	872	90.93
9	B₂	497	439	1.84

Atom	y (Å)	z (Å)
C1	0.000	0.579
B2	0.000	-0.777
H3	0.916	1.175
H4	-0.916	1.175
H5	0.000	-1.938

	C1	B2	H3	H4	H5
C1		1.3557	1.0934	1.0934	2.5169
B2	1.3557		2.1565	2.1565	1.1612
H3	1.0934	2.1565		1.8328	3.2454
H4	1.0934	2.1565	1.8328		3.2454
H5	2.5169	1.1612	3.2454	3.2454

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	123.054
B2	C1	H4	123.054		H4	C1	H3	113.891

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: HSEh1PBE/STO-3G

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	-0.352
2	B	0.185
3	H	0.092
4	H	0.092
5	H	-0.016

	x	y	z	Total
	0.000	0.000	-0.265	0.265
CHELPG
AIM
ESP

<r²>	20.418
(<r²>)^1/2	4.519

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)