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	hartrees
Energy at 0K	-139.136557
Energy at 298.15K	-139.138863
HF Energy	-139.136557
Nuclear repulsion energy	54.438679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3580	3432	105.79
2	A'	3204	3072	8.44
3	A'	1877	1800	276.74
4	A'	1429	1370	9.94
5	A'	978	937	51.06
6	A'	945	906	240.58
7	A'	818	784	133.49
8	A'	361	346	23.94
9	A"	3278	3143	0.67
10	A"	857	821	80.82
11	A"	662	635	119.36
12	A"	342	327	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.399	0.000
B2	0.039	0.015	0.000
O3	0.039	-1.325	0.000
H4	0.039	1.977	0.919
H5	0.039	1.977	-0.919
H6	-0.818	-1.820	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3847	2.7245	1.0856	1.0856	3.3312
B2	1.3847		1.3398	2.1672	2.1672	2.0247
O3	2.7245	1.3398		3.4281	3.4281	0.9894
H4	1.0856	2.1672	3.4281		1.8377	3.9997
H5	1.0856	2.1672	3.4281	1.8377		3.9997
H6	3.3312	2.0247	0.9894	3.9997	3.9997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.177
B2	C1	H5	122.177	B2	O3	H6	119.994
H4	C1	H5	115.646

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

using model chemistry: M06-2X/3-21G

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	-0.794
2	B	0.559
3	O	-0.581
4	H	0.203
5	H	0.203
6	H	0.409

	x	y	z	Total
	-1.967	-1.690	0.000	2.593
CHELPG
AIM
ESP

	x	y	z
x	2.036	0.321	0.000
y	0.321	5.709	0.000
z	0.000	0.000	2.286

<r²>	50.059
(<r²>)^1/2	7.075

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

using model chemistry: M06-2X/3-21G

States and conformations

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