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	hartrees
Energy at 0K	-139.939507
Energy at 298.15K	-139.941579
HF Energy	-139.939507
Nuclear repulsion energy	54.397540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3657	3638	98.72
2	A'	3090	3074	5.00
3	A'	1746	1737	369.45
4	A'	1326	1319	3.74
5	A'	951	946	148.44
6	A'	912	907	18.02
7	A'	612	609	99.97
8	A'	329	327	15.64
9	A"	3161	3144	0.00
10	A"	775	771	50.96
11	A"	595	591	95.39
12	A"	321	320	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.403	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.330	0.000
H4	0.040	1.983	0.926
H5	0.040	1.983	-0.926
H6	-0.839	-1.757	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3995	2.7332	1.0929	1.0929	3.2803
B2	1.3995		1.3337	2.1857	2.1857	1.9681
O3	2.7332	1.3337		3.4404	3.4404	0.9774
H4	1.0929	2.1857	3.4404		1.8523	3.9525
H5	1.0929	2.1857	3.4404	1.8523		3.9525
H6	3.2803	1.9681	0.9774	3.9525	3.9525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.069
B2	C1	H5	122.069	B2	O3	H6	115.912
H4	C1	H5	115.863

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

using model chemistry: BLYP/6-31+G**

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	-0.548
2	B	0.544
3	O	-0.663
4	H	0.147
5	H	0.147
6	H	0.374

	x	y	z	Total
	-1.632	-1.750	0.000	2.393
CHELPG
AIM
ESP

	x	y	z
x	4.361	0.140	0.000
y	0.140	7.218	0.000
z	0.000	0.000	3.118

<r²>	50.843
(<r²>)^1/2	7.130

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

using model chemistry: BLYP/6-31+G**

States and conformations

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