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	hartrees
Energy at 0K	-140.004525
Energy at 298.15K	-140.006699
HF Energy	-140.004525
Nuclear repulsion energy	54.888812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3745	3607	76.83
2	A'	3148	3032	1.89
3	A'	1799	1733	331.22
4	A'	1383	1332	4.38
5	A'	1026	988	171.62
6	A'	938	903	11.04
7	A'	630	607	94.60
8	A'	352	339	17.41
9	A"	3219	3100	0.65
10	A"	803	773	49.14
11	A"	636	613	97.03
12	A"	329	317	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.390	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.319	0.000
H4	0.040	1.967	0.919
H5	0.040	1.967	-0.919
H6	-0.835	-1.731	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3868	2.7087	1.0853	1.0853	3.2411
B2	1.3868		1.3219	2.1684	2.1684	1.9421
O3	2.7087	1.3219		3.4120	3.4120	0.9669
H4	1.0853	2.1684	3.4120		1.8382	3.9095
H5	1.0853	2.1684	3.4120	1.8382		3.9095
H6	3.2411	1.9421	0.9669	3.9095	3.9095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.125
B2	C1	H5	122.125	B2	O3	H6	115.224
H4	C1	H5	115.751

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

using model chemistry: TPSSh/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	-0.824
2	B	0.464
3	O	-0.482
4	H	0.210
5	H	0.210
6	H	0.424

	x	y	z	Total
	-1.716	-1.725	0.000	2.433
CHELPG
AIM
ESP

	x	y	z
x	3.026	0.193	0.000
y	0.193	6.220	0.000
z	0.000	0.000	2.857

<r²>	49.586
(<r²>)^1/2	7.042

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

using model chemistry: TPSSh/6-311G*

States and conformations

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