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	hartrees
Energy at 0K	-139.930337
Energy at 298.15K	-139.932537
HF Energy	-139.930337
Nuclear repulsion energy	54.537138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3693	3553	69.61
2	A'	3176	3055	3.86
3	A'	1815	1746	280.11
4	A'	1406	1352	6.22
5	A'	950	913	54.09
6	A'	897	863	242.39
7	A'	738	710	122.87
8	A'	345	332	22.44
9	A"	3250	3127	1.00
10	A"	832	800	68.26
11	A"	628	604	135.97
12	A"	333	321	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.400	0.000
B2	0.037	0.013	0.000
O3	0.037	-1.322	0.000
H4	0.037	1.981	0.918
H5	0.037	1.981	-0.918
H6	-0.779	-1.851	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3875	2.7220	1.0862	1.0862	3.3525
B2	1.3875		1.3345	2.1715	2.1715	2.0349
O3	2.7220	1.3345		3.4276	3.4276	0.9729
H4	1.0862	2.1715	3.4276		1.8365	4.0240
H5	1.0862	2.1715	3.4276	1.8365		4.0240
H6	3.3525	2.0349	0.9729	4.0240	4.0240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.290
B2	C1	H5	122.290	B2	O3	H6	122.978
H4	C1	H5	115.420

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

using model chemistry: B3LYP/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	-0.424
2	B	0.323
3	O	-0.591
4	H	0.142
5	H	0.142
6	H	0.408

	x	y	z	Total
	-1.878	-1.619	0.000	2.480
CHELPG
AIM
ESP

	x	y	z
x	2.057	0.279	0.000
y	0.279	6.084	0.000
z	0.000	0.000	2.435

<r²>	50.006
(<r²>)^1/2	7.072

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

using model chemistry: B3LYP/6-31G

States and conformations

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