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	hartrees
Energy at 0K	-139.768817
Energy at 298.15K	-139.771032
HF Energy	-139.768817
Nuclear repulsion energy	54.604949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3755	3592	94.05
2	A'	3203	3064	5.94
3	A'	1829	1750	293.29
4	A'	1403	1342	7.90
5	A'	953	912	40.70
6	A'	899	860	264.59
7	A'	746	714	138.30
8	A'	353	338	24.06
9	A"	3286	3143	0.15
10	A"	832	796	76.76
11	A"	627	600	140.09
12	A"	334	320	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.399	0.000
B2	0.037	0.012	0.000
O3	0.037	-1.320	0.000
H4	0.037	1.977	0.919
H5	0.037	1.977	-0.919
H6	-0.775	-1.850	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3873	2.7195	1.0855	1.0855	3.3491
B2	1.3873		1.3322	2.1693	2.1693	2.0312
O3	2.7195	1.3322		3.4229	3.4229	0.9693
H4	1.0855	2.1693	3.4229		1.8380	4.0186
H5	1.0855	2.1693	3.4229	1.8380		4.0186
H6	3.3491	2.0312	0.9693	4.0186	4.0186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.155
B2	C1	H5	122.155	B2	O3	H6	123.133
H4	C1	H5	115.689

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

using model chemistry: HSEh1PBE/6-31G

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	-0.523
2	B	0.376
3	O	-0.620
4	H	0.172
5	H	0.172
6	H	0.423

	x	y	z	Total
	-1.899	-1.633	0.000	2.504
CHELPG
AIM
ESP

	x	y	z
x	2.060	0.258	0.000
y	0.258	6.015	0.000
z	0.000	0.000	2.428

<r²>	49.889
(<r²>)^1/2	7.063

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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