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	hartrees
Energy at 0K	-64.687679
Energy at 298.15K	-64.688879
HF Energy	-64.687679
Nuclear repulsion energy	23.998604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3156	12.40
2	A₁	2827	2827	21.14
3	A₁	1522	1522	60.23
4	A₁	1277	1277	7.40
5	B₁	747	747	85.95
6	B₁	663	663	0.00
7	B₂	3226	3226	1.90
8	B₂	894	894	42.38
9	B₂	404	404	0.88

Atom	y (Å)	z (Å)
C1	0.000	0.589
B2	0.000	-0.783
H3	0.915	1.169
H4	-0.915	1.169
H5	0.000	-1.956

	C1	B2	H3	H4	H5
C1		1.3725	1.0835	1.0835	2.5453
B2	1.3725		2.1563	2.1563	1.1728
H3	1.0835	2.1563		1.8305	3.2565
H4	1.0835	2.1563	1.8305		3.2565
H5	2.5453	1.1728	3.2565	3.2565

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.361
B2	C1	H4	122.361		H4	C1	H3	115.279

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: wB97X-D/cc-pVQZ

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	-0.293
2	B	0.333
3	H	0.046
4	H	0.046
5	H	-0.132

	x	y	z	Total
	0.000	0.000	-0.623	0.623
CHELPG
AIM
ESP

<r²>	21.561
(<r²>)^1/2	4.643

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)