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	hartrees
Energy at 0K	-139.177931
Energy at 298.15K	-139.180305
HF Energy	-139.177931
Nuclear repulsion energy	55.429713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4152	3755	173.26
2	A'	3297	2982	1.08
3	A'	1883	1703	479.07
4	A'	1497	1354	0.28
5	A'	1099	994	231.55
6	A'	988	894	5.47
7	A'	754	682	113.61
8	A'	416	376	20.11
9	A"	3370	3048	2.36
10	A"	870	787	69.47
11	A"	625	566	124.00
12	A"	363	328	3.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	1.380	0.000
B2	0.038	0.000	0.000
O3	0.038	-1.307	0.000
H4	0.038	1.949	0.913
H5	0.038	1.949	-0.913
H6	-0.805	-1.726	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3802	2.6876	1.0759	1.0759	3.2188
B2	1.3802		1.3074	2.1522	2.1522	1.9212
O3	2.6876	1.3074		3.3818	3.3818	0.9418
H4	1.0759	2.1522	3.3818		1.8269	3.8794
H5	1.0759	2.1522	3.3818	1.8269		3.8794
H6	3.2188	1.9212	0.9418	3.8794	3.8794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.897
B2	C1	H5	121.897	B2	O3	H6	116.396
H4	C1	H5	116.205

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

using model chemistry: HF/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	-0.877
2	B	0.559
3	O	-0.585
4	H	0.221
5	H	0.221
6	H	0.460

	x	y	z	Total
	-1.771	-1.846	0.000	2.558
CHELPG
AIM
ESP

	x	y	z
x	2.960	0.175	0.000
y	0.175	5.673	0.000
z	0.000	0.000	2.652

<r²>	49.172
(<r²>)^1/2	7.012

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

using model chemistry: HF/6-311G*

States and conformations

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