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	hartrees
Energy at 0K	-139.209240
Energy at 298.15K	-139.211596
HF Energy	-139.209240
Nuclear repulsion energy	55.407358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4135	3765	225.01
2	A'	3288	2994	4.90
3	A'	1864	1697	522.34
4	A'	1483	1350	0.54
5	A'	1061	966	204.07
6	A'	990	901	7.27
7	A'	761	693	100.15
8	A'	418	380	17.16
9	A"	3363	3061	0.17
10	A"	857	780	44.73
11	A"	586	534	100.98
12	A"	359	327	3.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	1.383	0.000
B2	0.038	0.001	0.000
O3	0.038	-1.307	0.000
H4	0.038	1.946	0.914
H5	0.038	1.946	-0.914
H6	-0.802	-1.735	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3818	2.6897	1.0736	1.0736	3.2284
B2	1.3818		1.3079	2.1495	2.1495	1.9281
O3	2.6897	1.3079		3.3794	3.3794	0.9427
H4	1.0736	2.1495	3.3794		1.8274	3.8846
H5	1.0736	2.1495	3.3794	1.8274		3.8846
H6	3.2284	1.9281	0.9427	3.8846	3.8846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.678
B2	C1	H5	121.678	B2	O3	H6	116.967
H4	C1	H5	116.644

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

using model chemistry: HF/aug-cc-pVTZ

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	-1.032
2	B	0.058
3	O	-0.135
4	H	0.448
5	H	0.448
6	H	0.213

	x	y	z	Total
	-1.503	-1.958	0.000	2.469
CHELPG
AIM
ESP

	x	y	z
x	4.762	0.147	0.000
y	0.147	6.263	0.000
z	0.000	0.000	3.785

<r²>	49.394
(<r²>)^1/2	7.028

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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