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	hartrees
Energy at 0K	-139.165410
Energy at 298.15K	-139.167788
HF Energy	-139.165410
Nuclear repulsion energy	55.470947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4162	3768	199.69
2	A'	3303	2991	3.31
3	A'	1899	1720	439.12
4	A'	1487	1346	0.35
5	A'	1082	980	203.40
6	A'	1000	906	10.21
7	A'	761	689	94.27
8	A'	428	387	18.41
9	A"	3378	3059	0.75
10	A"	859	778	54.51
11	A"	608	551	100.06
12	A"	364	330	3.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	1.379	0.000
B2	0.038	0.001	0.000
O3	0.038	-1.306	0.000
H4	0.038	1.946	0.914
H5	0.038	1.946	-0.914
H6	-0.808	-1.721	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3785	2.6853	1.0751	1.0751	3.2132
B2	1.3785		1.3068	2.1492	2.1492	1.9181
O3	2.6853	1.3068		3.3780	3.3780	0.9425
H4	1.0751	2.1492	3.3780		1.8272	3.8722
H5	1.0751	2.1492	3.3780	1.8272		3.8722
H6	3.2132	1.9181	0.9425	3.8722	3.8722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.816
B2	C1	H5	121.816	B2	O3	H6	116.084
H4	C1	H5	116.368

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

using model chemistry: HF/6-31G(2df,p)

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	-0.521
2	B	0.193
3	O	-0.340
4	H	0.150
5	H	0.150
6	H	0.368

	x	y	z	Total
	-1.570	-1.843	0.000	2.421
CHELPG
AIM
ESP

	x	y	z
x	2.820	0.177	0.000
y	0.177	5.549	0.000
z	0.000	0.000	2.847

<r²>	48.801
(<r²>)^1/2	6.986

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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