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	hartrees
Energy at 0K	-139.973365
Energy at 298.15K	-139.975582
HF Energy	-139.973365
Nuclear repulsion energy	55.123854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3872	3698	175.90
2	A'	3185	3042	12.70
3	A'	1824	1742	411.71
4	A'	1358	1297	3.43
5	A'	996	951	181.99
6	A'	960	917	7.91
7	A'	677	647	85.45
8	A'	383	366	16.02
9	A"	3264	3117	1.55
10	A"	782	747	48.39
11	A"	593	566	85.18
12	A"	334	319	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.385	0.000
B2	0.039	0.004	0.000
O3	0.039	-1.313	0.000
H4	0.039	1.953	0.919
H5	0.039	1.953	-0.919
H6	-0.826	-1.732	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3806	2.6975	1.0805	1.0805	3.2344
B2	1.3806		1.3169	2.1551	2.1551	1.9396
O3	2.6975	1.3169		3.3930	3.3930	0.9618
H4	1.0805	2.1551	3.3930		1.8373	3.8954
H5	1.0805	2.1551	3.3930	1.8373		3.8954
H6	3.2344	1.9396	0.9618	3.8954	3.8954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.765
B2	C1	H5	121.765	B2	O3	H6	115.816
H4	C1	H5	116.470

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

using model chemistry: M06-2X/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	-0.493
2	B	0.181
3	O	-0.261
4	H	0.146
5	H	0.146
6	H	0.282

	x	y	z	Total
	-1.542	-1.778	0.000	2.353
CHELPG
AIM
ESP

	x	y	z
x	3.874	0.172	0.000
y	0.172	6.276	0.000
z	0.000	0.000	3.351

<r²>	49.429
(<r²>)^1/2	7.031

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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