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	hartrees
Energy at 0K	-139.263905
Energy at 298.15K	-139.266000
HF Energy	-139.263905
Nuclear repulsion energy	55.083855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3707	3667	136.33
2	A'	3099	3065	18.55
3	A'	1816	1796	341.79
4	A'	1273	1260	11.16
5	A'	949	938	25.90
6	A'	943	933	145.84
7	A'	599	593	86.86
8	A'	360	356	15.77
9	A"	3176	3141	4.55
10	A"	740	732	43.88
11	A"	600	593	76.02
12	A"	311	308	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.382	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.310	0.000
H4	0.040	1.959	0.925
H5	0.040	1.959	-0.925
H6	-0.834	-1.737	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3795	2.6916	1.0904	1.0904	3.2392
B2	1.3795		1.3121	2.1648	2.1648	1.9468
O3	2.6916	1.3121		3.3977	3.3977	0.9731
H4	1.0904	2.1648	3.3977		1.8493	3.9098
H5	1.0904	2.1648	3.3977	1.8493		3.9098
H6	3.2392	1.9468	0.9731	3.9098	3.9098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.005
B2	C1	H5	122.005	B2	O3	H6	116.053
H4	C1	H5	115.989

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

using model chemistry: LSDA/cc-pVTZ

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	-0.455
2	B	0.069
3	O	-0.146
4	H	0.145
5	H	0.145
6	H	0.243

	x	y	z	Total
	-1.547	-1.792	0.000	2.367
CHELPG
AIM
ESP

	x	y	z
x	3.926	0.179	0.000
y	0.179	6.646	0.000
z	0.000	0.000	3.513

<r²>	49.326
(<r²>)^1/2	7.023

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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