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	hartrees
Energy at 0K	-26.215120
Energy at 298.15K	-26.217297
HF Energy	-26.215120
Nuclear repulsion energy	28.924753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3859	119.22
2	A'	3169	3169	4.29
3	A'	1787	1787	411.31
4	A'	1377	1377	3.45
5	A'	1017	1017	204.17
6	A'	935	935	6.34
7	A'	663	663	108.95
8	A'	365	365	19.28
9	A"	3255	3255	0.43
10	A"	813	813	58.80
11	A"	586	586	103.29
12	A"	331	331	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.396	0.000
B2	0.040	0.001	0.000
O3	0.040	-1.325	0.000
H4	0.040	1.969	0.925
H5	0.040	1.969	-0.925
H6	-0.840	-1.722	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3947	2.7213	1.0883	1.0883	3.2400
B2	1.3947		1.3266	2.1746	2.1746	1.9351
O3	2.7213	1.3266		3.4220	3.4220	0.9653
H4	1.0883	2.1746	3.4220		1.8500	3.9061
H5	1.0883	2.1746	3.4220	1.8500		3.9061
H6	3.2400	1.9351	0.9653	3.9061	3.9061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.789
B2	C1	H5	121.789	B2	O3	H6	114.275
H4	C1	H5	116.421

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

using model chemistry: wB97X-D/CEP-121G*

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	-0.473
2	B	0.097
3	O	-0.481
4	H	0.200
5	H	0.200
6	H	0.457

	x	y	z	Total
	-1.746	-1.752	0.000	2.473
CHELPG
AIM
ESP

	x	y	z
x	3.446	0.169	0.000
y	0.169	6.235	0.000
z	0.000	0.000	2.894

<r²>	42.447
(<r²>)^1/2	6.515

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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