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	hartrees
Energy at 0K	-64.251439
Energy at 298.15K	-64.252813
HF Energy	-64.251439
Nuclear repulsion energy	24.070440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	2974	4.53
2	A₁	2925	2657	26.48
3	A₁	1600	1453	63.67
4	A₁	1379	1253	0.13
5	B₁	855	777	94.65
6	B₁	741	673	0.96
7	B₂	3340	3035	0.01
8	B₂	973	884	47.96
9	B₂	491	446	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.590
B2	0.000	-0.783
H3	0.910	1.163
H4	-0.910	1.163
H5	0.000	-1.949

	C1	B2	H3	H4	H5
C1		1.3726	1.0754	1.0754	2.5389
B2	1.3726		2.1478	2.1478	1.1662
H3	1.0754	2.1478		1.8204	3.2421
H4	1.0754	2.1478	1.8204		3.2421
H5	2.5389	1.1662	3.2421	3.2421

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	H5	180.000		B2	C1	H3	122.184
B2	C1	H4	122.184		H4	C1	H3	115.632

All results from a given calculation for CH₂BH (methyleneborane)

using model chemistry: HF/aug-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	-1.038
2	B	0.472
3	H	0.417
4	H	0.417
5	H	-0.267

	x	y	z	Total
	0.000	0.000	-0.881	0.881
CHELPG
AIM
ESP

<r²>	21.641
(<r²>)^1/2	4.652

All results from a given calculation for CH2BH (methyleneborane)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂BH (methyleneborane)