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	hartrees
Energy at 0K	-25.562046
Energy at 298.15K	-25.564462
HF Energy	-25.562046
Nuclear repulsion energy	29.007009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4105	3746	201.74
2	A'	3281	2994	3.99
3	A'	1847	1685	469.38
4	A'	1501	1370	5.28
5	A'	970	885	18.45
6	A'	930	848	391.12
7	A'	860	785	162.27
8	A'	423	386	29.03
9	A"	3372	3077	3.24
10	A"	916	836	95.25
11	A"	621	566	194.15
12	A"	369	337	2.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.035	1.400	0.000
B2	0.035	0.011	0.000
O3	0.035	-1.314	0.000
H4	0.035	1.971	0.913
H5	0.035	1.971	-0.913
H6	-0.726	-1.881	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3889	2.7142	1.0770	1.0770	3.3678
B2	1.3889		1.3253	2.1625	2.1625	2.0390
O3	2.7142	1.3253		3.4101	3.4101	0.9483
H4	1.0770	2.1625	3.4101		1.8258	4.0314
H5	1.0770	2.1625	3.4101	1.8258		4.0314
H6	3.3678	2.0390	0.9483	4.0314	4.0314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.047
B2	C1	H5	122.047	B2	O3	H6	126.692
H4	C1	H5	115.906

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

using model chemistry: HF/CEP-121G

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	-0.366
2	B	0.112
3	O	-0.562
4	H	0.187
5	H	0.187
6	H	0.441

	x	y	z	Total
	-1.907	-1.873	0.000	2.673
CHELPG
AIM
ESP

	x	y	z
x	3.182	0.213	0.000
y	0.213	6.023	0.000
z	0.000	0.000	2.490

<r²>	42.954
(<r²>)^1/2	6.554

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

using model chemistry: HF/CEP-121G

States and conformations

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