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	hartrees
Energy at 0K	-139.762013
Energy at 298.15K	-139.764169
HF Energy	-139.208716
Nuclear repulsion energy	55.045200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3865	3677	184.68
2	A'	3208	3052	12.38
3	A'	1802	1714	401.07
4	A'	1364	1298	2.57
5	A'	976	929	160.79
6	A'	947	901	16.44
7	A'	630	599	74.89
8	A'	371	353	17.08
9	A"	3276	3117	1.18
10	A"	776	738	31.75
11	A"	598	569	83.14
12	A"	317	302	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.389	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.316	0.000
H4	0.040	1.952	0.919
H5	0.040	1.952	-0.919
H6	-0.830	-1.726	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3867	2.7056	1.0773	1.0773	3.2342
B2	1.3867		1.3189	2.1548	2.1548	1.9347
O3	2.7056	1.3189		3.3947	3.3947	0.9608
H4	1.0773	2.1548	3.3947		1.8378	3.8889
H5	1.0773	2.1548	3.3947	1.8378		3.8889
H6	3.2342	1.9347	0.9608	3.8889	3.8889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.465
B2	C1	H5	121.465	B2	O3	H6	115.233
H4	C1	H5	117.070

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH2BOH (hydroxy(methylene)borane)

using model chemistry: MP2=FULL/aug-cc-pVTZ

States and conformations

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