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	hartrees
Energy at 0K	-139.152023
Energy at 298.15K	-139.154153
HF Energy	-139.152023
Nuclear repulsion energy	54.601771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3599	3526	64.15
2	A'	3123	3060	12.06
3	A'	1832	1795	258.58
4	A'	1331	1304	14.77
5	A'	942	923	3.09
6	A'	860	843	287.17
7	A'	687	673	139.47
8	A'	343	336	24.08
9	A"	3206	3141	0.24
10	A"	782	766	78.62
11	A"	633	620	127.02
12	A"	319	312	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.396	0.000
B2	0.037	0.010	0.000
O3	0.037	-1.315	0.000
H4	0.037	1.980	0.925
H5	0.037	1.980	-0.925
H6	-0.779	-1.862	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3859	2.7112	1.0945	1.0945	3.3583
B2	1.3859		1.3254	2.1767	2.1767	2.0419
O3	2.7112	1.3254		3.4230	3.4230	0.9820
H4	1.0945	2.1767	3.4230		1.8509	4.0352
H5	1.0945	2.1767	3.4230	1.8509		4.0352
H6	3.3583	2.0419	0.9820	4.0352	4.0352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.266
B2	C1	H5	122.266	B2	O3	H6	123.809
H4	C1	H5	115.468

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

using model chemistry: LSDA/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	-0.456
2	B	0.247
3	O	-0.548
4	H	0.167
5	H	0.167
6	H	0.423

	x	y	z	Total
	-1.907	-1.721	0.000	2.569
CHELPG
AIM
ESP

	x	y	z
x	2.062	0.288	0.000
y	0.288	6.257	0.000
z	0.000	0.000	2.513

<r²>	49.692
(<r²>)^1/2	7.049

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

using model chemistry: LSDA/6-31G

States and conformations

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