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	hartrees
Energy at 0K	-26.167780
Energy at 298.15K	-26.169920
HF Energy	-26.167780
Nuclear repulsion energy	28.510387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3637	86.96
2	A'	3160	3060	1.81
3	A'	1784	1727	349.56
4	A'	1382	1338	9.13
5	A'	925	895	1.02
6	A'	844	818	306.49
7	A'	705	683	159.88
8	A'	342	331	23.27
9	A"	3255	3152	6.36
10	A"	839	812	70.86
11	A"	599	580	157.30
12	A"	331	320	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.423	0.000
B2	0.037	0.007	0.000
O3	0.037	-1.336	0.000
H4	0.037	1.997	0.932
H5	0.037	1.997	-0.932
H6	-0.774	-1.884	0.000

	C1	B2	O3	H4	H5	H6
C1		1.4166	2.7590	1.0944	1.0944	3.4053
B2	1.4166		1.3424	2.1976	2.1976	2.0572
O3	2.7590	1.3424		3.4604	3.4604	0.9788
H4	1.0944	2.1976	3.4604		1.8642	4.0727
H5	1.0944	2.1976	3.4604	1.8642		4.0727
H6	3.4053	2.0572	0.9788	4.0727	4.0727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.600
B2	C1	H5	121.600	B2	O3	H6	124.070
H4	C1	H5	116.799

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

using model chemistry: B3LYP/CEP-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	-0.098
2	B	-0.340
3	O	-0.336
4	H	0.186
5	H	0.186
6	H	0.402

	x	y	z	Total
	-1.889	-1.671	0.000	2.523
CHELPG
AIM
ESP

	x	y	z
x	3.231	0.267	0.000
y	0.267	6.314	0.000
z	0.000	0.000	2.483

<r²>	43.575
(<r²>)^1/2	6.601

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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