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	hartrees
Energy at 0K	-137.897871
Energy at 298.15K	-137.900063
HF Energy	-137.845544
Nuclear repulsion energy	54.783455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3803	1.38
2	A'	3430	3430	36.70
3	A'	2016	2016	137.55
4	A'	1573	1573	0.78
5	A'	1207	1207	93.20
6	A'	1003	1003	19.14
7	A'	815	815	38.55
8	A'	356	356	14.73
9	A"	3559	3559	1.95
10	A"	905	905	42.42
11	A"	765	765	54.03
12	A"	333	333	2.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	1.377	0.000
B2	0.043	0.010	0.000
O3	0.043	-1.320	0.000
H4	0.043	1.966	0.919
H5	0.043	1.966	-0.919
H6	-0.902	-1.688	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3673	2.6968	1.0916	1.0916	3.2075
B2	1.3673		1.3295	2.1616	2.1616	1.9430
O3	2.6968	1.3295		3.4121	3.4121	1.0141
H4	1.0916	2.1616	3.4121		1.8379	3.8848
H5	1.0916	2.1616	3.4121	1.8379		3.8848
H6	3.2075	1.9430	1.0141	3.8848	3.8848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.666
B2	C1	H5	122.666	B2	O3	H6	111.298
H4	C1	H5	114.668

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

using model chemistry: B2PLYP/STO-3G

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	-0.338
2	B	0.254
3	O	-0.266
4	H	0.059
5	H	0.059
6	H	0.233

	x	y	z	Total
	-1.444	-1.695	0.000	2.226
CHELPG
AIM
ESP

	x	y	z
x	0.858	0.440	0.000
y	0.440	4.203	0.000
z	0.000	0.000	1.256

<r²>	48.213
(<r²>)^1/2	6.944

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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