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	hartrees
Energy at 0K	-139.735442
Energy at 298.15K	-139.737655
HF Energy	-139.646108
Nuclear repulsion energy	54.404954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3723	3723	94.67
2	A'	3197	3197	3.89
3	A'	1804	1804	270.92
4	A'	1429	1429	5.12
5	A'	962	962	136.27
6	A'	902	902	167.34
7	A'	750	750	123.39
8	A'	340	340	22.52
9	A"	3275	3275	0.89
10	A"	849	849	67.90
11	A"	638	638	141.61
12	A"	332	332	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.405	0.000
B2	0.037	0.013	0.000
O3	0.037	-1.327	0.000
H4	0.037	1.983	0.919
H5	0.037	1.983	-0.919
H6	-0.781	-1.851	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3920	2.7318	1.0853	1.0853	3.3575
B2	1.3920		1.3398	2.1735	2.1735	2.0359
O3	2.7318	1.3398		3.4348	3.4348	0.9717
H4	1.0853	2.1735	3.4348		1.8373	4.0267
H5	1.0853	2.1735	3.4348	1.8373		4.0267
H6	3.3575	2.0359	0.9717	4.0267	4.0267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.169
B2	C1	H5	122.169	B2	O3	H6	122.674
H4	C1	H5	115.662

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

using model chemistry: B2PLYP/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	-0.447
2	B	0.353
3	O	-0.620
4	H	0.148
5	H	0.148
6	H	0.418

	x	y	z	Total
	-1.907	-1.599	0.000	2.489
CHELPG
AIM
ESP

	x	y	z
x	2.047	0.271	0.000
y	0.271	6.055	0.000
z	0.000	0.000	2.428

<r²>	50.339
(<r²>)^1/2	7.095

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

using model chemistry: B2PLYP/6-31G

States and conformations

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