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	hartrees
Energy at 0K	-139.805228
Energy at 298.15K	-139.807377
HF Energy	-139.805228
Nuclear repulsion energy	54.867919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3792	3607	108.54
2	A'	3202	3045	5.41
3	A'	1828	1738	330.37
4	A'	1381	1313	2.85
5	A'	1020	970	179.45
6	A'	951	905	6.34
7	A'	643	612	99.02
8	A'	351	334	17.74
9	A"	3278	3118	0.00
10	A"	795	756	56.58
11	A"	618	588	88.35
12	A"	324	308	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.390	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.321	0.000
H4	0.040	1.964	0.922
H5	0.040	1.964	-0.922
H6	-0.845	-1.710	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3884	2.7113	1.0857	1.0857	3.2243
B2	1.3884		1.3229	2.1680	2.1680	1.9274
O3	2.7113	1.3229		3.4121	3.4121	0.9673
H4	1.0857	2.1680	3.4121		1.8432	3.8903
H5	1.0857	2.1680	3.4121	1.8432		3.8903
H6	3.2243	1.9274	0.9673	3.8903	3.8903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.916
B2	C1	H5	121.916	B2	O3	H6	113.717
H4	C1	H5	116.168

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

using model chemistry: HSEh1PBE/6-31G*

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	-0.564
2	B	0.264
3	O	-0.507
4	H	0.179
5	H	0.179
6	H	0.449

	x	y	z	Total
	-1.683	-1.620	0.000	2.336
CHELPG
AIM
ESP

	x	y	z
x	2.329	0.215	0.000
y	0.215	5.815	0.000
z	0.000	0.000	2.637

<r²>	49.272
(<r²>)^1/2	7.019

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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