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	hartrees
Energy at 0K	-139.015114
Energy at 298.15K	-139.017378
HF Energy	-138.926629
Nuclear repulsion energy	54.254408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3539	3539	73.50
2	A'	3186	3186	4.84
3	A'	1849	1849	231.57
4	A'	1448	1448	9.19
5	A'	997	997	178.94
6	A'	941	941	81.71
7	A'	763	763	118.92
8	A'	347	347	21.01
9	A"	3255	3255	0.06
10	A"	864	864	62.76
11	A"	664	664	112.84
12	A"	329	329	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.405	0.000
B2	0.039	0.014	0.000
O3	0.039	-1.332	0.000
H4	0.039	1.983	0.918
H5	0.039	1.983	-0.918
H6	-0.828	-1.809	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3912	2.7376	1.0848	1.0848	3.3294
B2	1.3912		1.3464	2.1724	2.1724	2.0191
O3	2.7376	1.3464		3.4400	3.4400	0.9901
H4	1.0848	2.1724	3.4400		1.8364	3.9969
H5	1.0848	2.1724	3.4400	1.8364		3.9969
H6	3.3294	2.0191	0.9901	3.9969	3.9969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.174
B2	C1	H5	122.174	B2	O3	H6	118.779
H4	C1	H5	115.652

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

using model chemistry: B2PLYP/3-21G

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	-0.766
2	B	0.548
3	O	-0.556
4	H	0.189
5	H	0.189
6	H	0.397

	x	y	z	Total
	-1.932	-1.718	0.000	2.585
CHELPG
AIM
ESP

	x	y	z
x	2.030	0.322	0.000
y	0.322	5.800	0.000
z	0.000	0.000	2.313

<r²>	50.391
(<r²>)^1/2	7.099

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

using model chemistry: B2PLYP/3-21G

States and conformations

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