Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH₂BOH (hydroxy(methylene)borane)

using model chemistry: QCISD(TQ)=FULL/aug-cc-pVDZ

States and conformations

Geometric Data calculated at QCISD(TQ)=FULL/aug-cc-pVDZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.409	0.000
B2	0.040	0.000	0.000
O3	0.040	-1.337	0.000
H4	0.040	1.983	0.932
H5	0.040	1.983	-0.932
H6	-0.847	-1.724	0.000

Atom - Atom Distances (Å)

	C1	B2	O3	H4	H5	H6
C1		1.4087	2.7466	1.0947	1.0947	3.2566
B2	1.4087		1.3378	2.1907	2.1907	1.9395
O3	2.7466	1.3378		3.4487	3.4487	0.9681
H4	1.0947	2.1907	3.4487		1.8646	3.9241
H5	1.0947	2.1907	3.4487	1.8646		3.9241
H6	3.2566	1.9395	0.9681	3.9241	3.9241

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	B2	O3	180.000		B2	C1	H4	121.607
B2	C1	H5	121.607		B2	O3	H6	113.546
H4	C1	H5	116.787