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	hartrees
Energy at 0K	-139.826599
Energy at 298.15K	-139.828757
HF Energy	-139.826599
Nuclear repulsion energy	54.883198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3879	3704	155.78
2	A'	3196	3051	8.26
3	A'	1813	1731	424.66
4	A'	1357	1296	3.82
5	A'	976	932	182.69
6	A'	948	905	3.49
7	A'	652	623	114.47
8	A'	360	344	17.85
9	A"	3278	3130	0.69
10	A"	791	755	64.88
11	A"	597	570	99.70
12	A"	328	313	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.392	0.000
B2	0.039	0.001	0.000
O3	0.039	-1.319	0.000
H4	0.039	1.965	0.922
H5	0.039	1.965	-0.922
H6	-0.828	-1.738	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3907	2.7108	1.0854	1.0854	3.2481
B2	1.3907		1.3201	2.1690	2.1690	1.9437
O3	2.7108	1.3201		3.4103	3.4103	0.9634
H4	1.0854	2.1690	3.4103		1.8443	3.9130
H5	1.0854	2.1690	3.4103	1.8443		3.9130
H6	3.2481	1.9437	0.9634	3.9130	3.9130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.831
B2	C1	H5	121.831	B2	O3	H6	115.802
H4	C1	H5	116.338

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.587
2	B	0.518
3	O	-0.667
4	H	0.173
5	H	0.173
6	H	0.389

	x	y	z	Total
	-1.654	-1.781	0.000	2.431
CHELPG
AIM
ESP

	x	y	z
x	4.004	0.136	0.000
y	0.136	6.696	0.000
z	0.000	0.000	2.951

<r²>	49.936
(<r²>)^1/2	7.067

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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