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	hartrees
Energy at 0K	-140.009949
Energy at 298.15K	-140.012148
HF Energy	-140.009949
Nuclear repulsion energy	55.013811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3773	3646	87.82
2	A'	3145	3039	3.02
3	A'	1810	1749	346.71
4	A'	1377	1331	4.77
5	A'	1024	990	183.63
6	A'	946	914	8.80
7	A'	639	618	98.61
8	A'	364	351	17.42
9	A"	3214	3105	0.50
10	A"	806	779	53.53
11	A"	630	609	100.05
12	A"	337	325	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.386	0.000
B2	0.039	0.003	0.000
O3	0.039	-1.315	0.000
H4	0.039	1.964	0.918
H5	0.039	1.964	-0.918
H6	-0.828	-1.737	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3832	2.7011	1.0847	1.0847	3.2415
B2	1.3832		1.3179	2.1650	2.1650	1.9444
O3	2.7011	1.3179		3.4048	3.4048	0.9649
H4	1.0847	2.1650	3.4048		1.8365	3.9104
H5	1.0847	2.1650	3.4048	1.8365		3.9104
H6	3.2415	1.9444	0.9649	3.9104	3.9104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.167
B2	C1	H5	122.167	B2	O3	H6	115.942
H4	C1	H5	115.667

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

using model chemistry: B3LYP/6-311G*

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	-0.788
2	B	0.423
3	O	-0.473
4	H	0.206
5	H	0.206
6	H	0.426

	x	y	z	Total
	-1.727	-1.747	0.000	2.457
CHELPG
AIM
ESP

	x	y	z
x	2.993	0.194	0.000
y	0.194	6.159	0.000
z	0.000	0.000	2.843

<r²>	49.497
(<r²>)^1/2	7.035

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

using model chemistry: B3LYP/6-311G*

States and conformations

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