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	hartrees
Energy at 0K	-25.602041
Energy at 298.15K	-25.604342
HF Energy	-25.602041
Nuclear repulsion energy	28.992441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4134	3713	204.02
2	A'	3336	2995	0.48
3	A'	1861	1671	524.11
4	A'	1493	1341	0.07
5	A'	1069	960	227.43
6	A'	980	880	2.66
7	A'	738	663	117.65
8	A'	393	353	19.36
9	A"	3421	3072	6.28
10	A"	877	787	70.03
11	A"	603	541	123.29
12	A"	351	315	2.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.401	0.000
B2	0.039	-0.005	0.000
O3	0.039	-1.324	0.000
H4	0.039	1.967	0.923
H5	0.039	1.967	-0.923
H6	-0.824	-1.727	0.000

	C1	B2	O3	H4	H5	H6
C1		1.4061	2.7251	1.0824	1.0824	3.2456
B2	1.4061		1.3190	2.1772	2.1772	1.9267
O3	2.7251	1.3190		3.4179	3.4179	0.9526
H4	1.0824	2.1772	3.4179		1.8455	3.9047
H5	1.0824	2.1772	3.4179	1.8455		3.9047
H6	3.2456	1.9267	0.9526	3.9047	3.9047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.521
B2	C1	H5	121.521	B2	O3	H6	115.072
H4	C1	H5	116.958

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	-0.208
2	B	-0.219
3	O	-0.427
4	H	0.192
5	H	0.192
6	H	0.470

	x	y	z	Total
	-1.743	-1.825	0.000	2.524
CHELPG
AIM
ESP

	x	y	z
x	3.542	0.196	0.000
y	0.196	5.672	0.000
z	0.000	0.000	2.506

<r²>	42.637
(<r²>)^1/2	6.530

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)