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	hartrees
Energy at 0K	-139.961889
Energy at 298.15K	-139.964011
HF Energy	-139.961889
Nuclear repulsion energy	54.624692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3599	3590	52.56
2	A'	3068	3060	1.97
3	A'	1760	1756	292.37
4	A'	1342	1338	5.82
5	A'	1004	1002	156.83
6	A'	919	917	12.84
7	A'	599	598	90.29
8	A'	340	339	16.17
9	A"	3132	3124	1.04
10	A"	789	787	43.83
11	A"	627	625	93.05
12	A"	329	328	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.395	0.000
B2	0.040	0.004	0.000
O3	0.040	-1.324	0.000
H4	0.040	1.978	0.923
H5	0.040	1.978	-0.923
H6	-0.840	-1.746	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3911	2.7192	1.0915	1.0915	3.2620
B2	1.3911		1.3281	2.1790	2.1790	1.9588
O3	2.7192	1.3281		3.4285	3.4285	0.9761
H4	1.0915	2.1790	3.4285		1.8457	3.9361
H5	1.0915	2.1790	3.4285	1.8457		3.9361
H6	3.2620	1.9588	0.9761	3.9361	3.9361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.274
B2	C1	H5	122.274	B2	O3	H6	115.603
H4	C1	H5	115.453

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

using model chemistry: BLYP/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	-0.733
2	B	0.373
3	O	-0.436
4	H	0.193
5	H	0.193
6	H	0.410

	x	y	z	Total
	-1.704	-1.715	0.000	2.418
CHELPG
AIM
ESP

	x	y	z
x	3.046	0.213	0.000
y	0.213	6.459	0.000
z	0.000	0.000	2.945

<r²>	50.064
(<r²>)^1/2	7.076

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

using model chemistry: BLYP/6-311G*

States and conformations

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