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	hartrees
Energy at 0K	-139.781350
Energy at 298.15K	-139.783391
HF Energy	-139.781350
Nuclear repulsion energy	54.445227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3610	3558	65.11
2	A'	3115	3071	4.92
3	A'	1776	1750	270.88
4	A'	1331	1312	4.30
5	A'	995	981	147.47
6	A'	922	909	10.43
7	A'	588	579	88.68
8	A'	319	314	16.18
9	A"	3188	3142	0.01
10	A"	768	757	45.39
11	A"	618	609	79.72
12	A"	310	305	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	1.400	0.000
B2	0.041	0.002	0.000
O3	0.041	-1.332	0.000
H4	0.041	1.979	0.928
H5	0.041	1.979	-0.928
H6	-0.861	-1.713	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3974	2.7311	1.0938	1.0938	3.2407
B2	1.3974		1.3338	2.1838	2.1838	1.9381
O3	2.7311	1.3338		3.4382	3.4382	0.9796
H4	1.0938	2.1838	3.4382		1.8552	3.9124
H5	1.0938	2.1838	3.4382	1.8552		3.9124
H6	3.2407	1.9381	0.9796	3.9124	3.9124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.999
B2	C1	H5	121.999	B2	O3	H6	112.921
H4	C1	H5	116.001

All results from a given calculation for CH₂BOH (hydroxy(methylene)borane)

using model chemistry: PBEPBE/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	-0.508
2	B	0.213
3	O	-0.460
4	H	0.164
5	H	0.164
6	H	0.427

	x	y	z	Total
	-1.648	-1.578	0.000	2.282
CHELPG
AIM
ESP

	x	y	z
x	2.375	0.243	0.000
y	0.243	6.082	0.000
z	0.000	0.000	2.718

<r²>	49.807
(<r²>)^1/2	7.057

All results from a given calculation for CH2BOH (hydroxy(methylene)borane)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for CH₂BOH (hydroxy(methylene)borane)