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	hartrees
Energy at 0K	-139.905688
Energy at 298.15K	-139.907827
HF Energy	-139.905688
Nuclear repulsion energy	54.810571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3770	3607	101.37
2	A'	3187	3049	4.65
3	A'	1819	1740	323.30
4	A'	1378	1318	2.90
5	A'	1016	972	177.58
6	A'	946	905	7.27
7	A'	638	611	98.01
8	A'	347	332	17.48
9	A"	3262	3120	0.04
10	A"	794	760	55.10
11	A"	618	591	88.24
12	A"	324	310	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.392	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.322	0.000
H4	0.040	1.966	0.922
H5	0.040	1.966	-0.922
H6	-0.846	-1.714	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3894	2.7140	1.0863	1.0863	3.2291
B2	1.3894		1.3246	2.1698	2.1698	1.9311
O3	2.7140	1.3246		3.4156	3.4156	0.9687
H4	1.0863	2.1698	3.4156		1.8435	3.8958
H5	1.0863	2.1698	3.4156	1.8435		3.8958
H6	3.2291	1.9311	0.9687	3.8958	3.8958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.951
B2	C1	H5	121.951	B2	O3	H6	113.814
H4	C1	H5	116.097

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

using model chemistry: B3PW91/6-31G*

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	-0.562
2	B	0.268
3	O	-0.507
4	H	0.177
5	H	0.177
6	H	0.446

	x	y	z	Total
	-1.682	-1.617	0.000	2.333
CHELPG
AIM
ESP

	x	y	z
x	2.330	0.218	0.000
y	0.218	5.853	0.000
z	0.000	0.000	2.644

<r²>	49.329
(<r²>)^1/2	7.023

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

using model chemistry: B3PW91/6-31G*

States and conformations

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