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	hartrees
Energy at 0K	-26.177597
Energy at 298.15K	-26.179810
HF Energy	-26.177597
Nuclear repulsion energy	28.698140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3731	3636	78.37
2	A'	3118	3039	3.93
3	A'	1772	1726	334.02
4	A'	1383	1348	9.66
5	A'	924	900	6.76
6	A'	866	844	308.79
7	A'	727	709	139.98
8	A'	358	349	23.03
9	A"	3203	3122	2.49
10	A"	838	816	68.06
11	A"	605	589	152.98
12	A"	339	330	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.410	0.000
B2	0.037	0.011	0.000
O3	0.037	-1.327	0.000
H4	0.037	1.989	0.922
H5	0.037	1.989	-0.922
H6	-0.767	-1.876	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3981	2.7366	1.0886	1.0886	3.3825
B2	1.3981		1.3385	2.1816	2.1816	2.0515
O3	2.7366	1.3385		3.4416	3.4416	0.9734
H4	1.0886	2.1816	3.4416		1.8434	4.0538
H5	1.0886	2.1816	3.4416	1.8434		4.0538
H6	3.3825	2.0515	0.9734	4.0538	4.0538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.149
B2	C1	H5	122.149	B2	O3	H6	124.338
H4	C1	H5	115.702

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

using model chemistry: B3LYP/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	-0.242
2	B	-0.067
3	O	-0.422
4	H	0.165
5	H	0.165
6	H	0.402

	x	y	z	Total
	-1.884	-1.738	0.000	2.564
CHELPG
AIM
ESP

	x	y	z
x	3.210	0.236	0.000
y	0.236	6.629	0.000
z	0.000	0.000	2.729

<r²>	43.288
(<r²>)^1/2	6.579

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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