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	hartrees
Energy at 0K	-138.088557
Energy at 298.15K	-138.090759
HF Energy	-138.088557
Nuclear repulsion energy	54.894101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3796	3336	0.63
2	A'	3435	3019	46.37
3	A'	2032	1786	146.41
4	A'	1559	1370	2.15
5	A'	1192	1047	93.11
6	A'	1012	889	20.54
7	A'	815	717	46.12
8	A'	367	323	14.66
9	A"	3564	3133	3.92
10	A"	898	789	47.28
11	A"	755	664	54.93
12	A"	337	297	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	1.373	0.000
B2	0.043	0.011	0.000
O3	0.043	-1.317	0.000
H4	0.043	1.964	0.916
H5	0.043	1.964	-0.916
H6	-0.900	-1.688	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3628	2.6902	1.0898	1.0898	3.2034
B2	1.3628		1.3274	2.1572	2.1572	1.9429
O3	2.6902	1.3274		3.4059	3.4059	1.0136
H4	1.0898	2.1572	3.4059		1.8324	3.8811
H5	1.0898	2.1572	3.4059	1.8324		3.8811
H6	3.2034	1.9429	1.0136	3.8811	3.8811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.789
B2	C1	H5	122.789	B2	O3	H6	111.483
H4	C1	H5	114.422

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

using model chemistry: mPW1PW91/STO-3G

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	-0.361
2	B	0.251
3	O	-0.272
4	H	0.070
5	H	0.070
6	H	0.242

	x	y	z	Total
	-1.466	-1.704	0.000	2.248
CHELPG
AIM
ESP

	x	y	z
x	0.863	0.430	0.000
y	0.430	4.136	0.000
z	0.000	0.000	1.250

<r²>	47.982
(<r²>)^1/2	6.927

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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