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	hartrees
Energy at 0K	-139.152705
Energy at 298.15K	-139.155056
HF Energy	-139.152705
Nuclear repulsion energy	55.311032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4174	3767	193.00
2	A'	3319	2995	2.14
3	A'	1895	1710	456.97
4	A'	1499	1353	0.04
5	A'	1081	975	230.90
6	A'	996	899	6.39
7	A'	772	697	105.64
8	A'	405	366	20.02
9	A"	3394	3063	1.64
10	A"	871	786	67.51
11	A"	609	550	112.41
12	A"	357	323	3.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.384	0.000
B2	0.039	0.002	0.000
O3	0.039	-1.311	0.000
H4	0.039	1.950	0.914
H5	0.039	1.950	-0.914
H6	-0.812	-1.722	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3818	2.6944	1.0755	1.0755	3.2200
B2	1.3818		1.3126	2.1519	2.1519	1.9222
O3	2.6944	1.3126		3.3864	3.3864	0.9447
H4	1.0755	2.1519	3.3864		1.8288	3.8783
H5	1.0755	2.1519	3.3864	1.8288		3.8783
H6	3.2200	1.9222	0.9447	3.8783	3.8783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.766
B2	C1	H5	121.766	B2	O3	H6	115.798
H4	C1	H5	116.468

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

using model chemistry: HF/6-31G**

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	-0.505
2	B	0.381
3	O	-0.511
4	H	0.132
5	H	0.132
6	H	0.372

	x	y	z	Total
	-1.706	-1.786	0.000	2.470
CHELPG
AIM
ESP

	x	y	z
x	2.308	0.193	0.000
y	0.193	5.490	0.000
z	0.000	0.000	2.540

<r²>	49.050
(<r²>)^1/2	7.004

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

using model chemistry: HF/6-31G**

States and conformations

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