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	hartrees
Energy at 0K	-139.864150
Energy at 298.15K	-139.866370
HF Energy	-139.864150
Nuclear repulsion energy	54.657650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3799	3799	131.68
2	A'	3216	3216	8.30
3	A'	1836	1836	324.04
4	A'	1413	1413	5.60
5	A'	952	952	7.89
6	A'	887	887	322.18
7	A'	794	794	135.65
8	A'	355	355	27.93
9	A"	3296	3296	0.01
10	A"	835	835	83.62
11	A"	595	595	148.52
12	A"	340	340	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.398	0.000
B2	0.037	0.014	0.000
O3	0.037	-1.318	0.000
H4	0.037	1.974	0.918
H5	0.037	1.974	-0.918
H6	-0.768	-1.858	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3842	2.7161	1.0838	1.0838	3.3543
B2	1.3842		1.3319	2.1645	2.1645	2.0378
O3	2.7161	1.3319		3.4177	3.4177	0.9695
H4	1.0838	2.1645	3.4177		1.8360	4.0221
H5	1.0838	2.1645	3.4177	1.8360		4.0221
H6	3.3543	2.0378	0.9695	4.0221	4.0221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.108
B2	C1	H5	122.108	B2	O3	H6	123.860
H4	C1	H5	115.785

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

using model chemistry: M06-2X/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	-0.471
2	B	0.355
3	O	-0.640
4	H	0.163
5	H	0.163
6	H	0.431

	x	y	z	Total
	-1.921	-1.629	0.000	2.519
CHELPG
AIM
ESP

	x	y	z
x	2.044	0.262	0.000
y	0.262	5.909	0.000
z	0.000	0.000	2.426

<r²>	49.881
(<r²>)^1/2	7.063

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

using model chemistry: M06-2X/6-31G

States and conformations

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