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	hartrees
Energy at 0K	-26.215020
Energy at 298.15K	-26.217163
HF Energy	-26.215020
Nuclear repulsion energy	28.858148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3759	3643	97.60
2	A'	3133	3037	2.98
3	A'	1770	1715	366.17
4	A'	1373	1331	3.06
5	A'	1017	986	187.85
6	A'	925	896	8.79
7	A'	630	611	99.52
8	A'	344	333	16.46
9	A"	3208	3109	0.98
10	A"	811	786	51.30
11	A"	601	582	101.73
12	A"	332	322	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.398	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.327	0.000
H4	0.040	1.975	0.924
H5	0.040	1.975	-0.924
H6	-0.843	-1.733	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3960	2.7259	1.0888	1.0888	3.2532
B2	1.3960		1.3299	2.1778	2.1778	1.9469
O3	2.7259	1.3299		3.4288	3.4288	0.9716
H4	1.0888	2.1778	3.4288		1.8480	3.9213
H5	1.0888	2.1778	3.4288	1.8480		3.9213
H6	3.2532	1.9469	0.9716	3.9213	3.9213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.942
B2	C1	H5	121.942	B2	O3	H6	114.644
H4	C1	H5	116.116

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	-0.406
2	B	0.078
3	O	-0.477
4	H	0.181
5	H	0.181
6	H	0.443

	x	y	z	Total
	-1.722	-1.693	0.000	2.415
CHELPG
AIM
ESP

	x	y	z
x	3.485	0.185	0.000
y	0.185	6.388	0.000
z	0.000	0.000	2.923

<r²>	42.691
(<r²>)^1/2	6.534

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)