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	hartrees
Energy at 0K	-25.552373
Energy at 298.15K	-25.554725
HF Energy	-25.552373
Nuclear repulsion energy	28.839541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4139	3731	224.85
2	A'	3337	3008	0.62
3	A'	1867	1683	479.29
4	A'	1508	1359	4.03
5	A'	974	878	1.92
6	A'	909	819	387.71
7	A'	835	753	185.10
8	A'	406	366	29.97
9	A"	3434	3095	10.17
10	A"	927	836	95.96
11	A"	615	554	204.01
12	A"	358	323	1.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.035	1.413	0.000
B2	0.035	0.006	0.000
O3	0.035	-1.322	0.000
H4	0.035	1.980	0.920
H5	0.035	1.980	-0.920
H6	-0.729	-1.892	0.000

	C1	B2	O3	H4	H5	H6
C1		1.4072	2.7347	1.0808	1.0808	3.3921
B2	1.4072		1.3276	2.1780	2.1780	2.0457
O3	2.7347	1.3276		3.4274	3.4274	0.9531
H4	1.0808	2.1780	3.4274		1.8403	4.0523
H5	1.0808	2.1780	3.4274	1.8403		4.0523
H6	3.3921	2.0457	0.9531	4.0523	4.0523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.636
B2	C1	H5	121.636	B2	O3	H6	126.755
H4	C1	H5	116.728

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

using model chemistry: HF/CEP-31G

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	-0.164
2	B	-0.161
3	O	-0.479
4	H	0.177
5	H	0.177
6	H	0.449

	x	y	z	Total
	-1.916	-1.898	0.000	2.697
CHELPG
AIM
ESP

	x	y	z
x	3.223	0.247	0.000
y	0.247	5.817	0.000
z	0.000	0.000	2.292

<r²>	43.299
(<r²>)^1/2	6.580

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

using model chemistry: HF/CEP-31G

States and conformations

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