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	hartrees
Energy at 0K	-139.160784
Energy at 298.15K	-139.163126
HF Energy	-139.160784
Nuclear repulsion energy	55.172321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4125	3745	220.90
2	A'	3310	3005	3.48
3	A'	1876	1704	468.22
4	A'	1458	1324	0.25
5	A'	1104	1002	192.07
6	A'	984	893	10.64
7	A'	738	670	91.93
8	A'	410	372	15.75
9	A"	3395	3083	0.10
10	A"	856	777	55.99
11	A"	609	553	100.95
12	A"	350	318	3.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.386	0.000
B2	0.039	-0.001	0.000
O3	0.039	-1.314	0.000
H4	0.039	1.953	0.923
H5	0.039	1.953	-0.923
H6	-0.822	-1.710	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3868	2.7002	1.0831	1.0831	3.2138
B2	1.3868		1.3134	2.1606	2.1606	1.9142
O3	2.7002	1.3134		3.3947	3.3947	0.9482
H4	1.0831	2.1606	3.3947		1.8460	3.8744
H5	1.0831	2.1606	3.3947	1.8460		3.8744
H6	3.2138	1.9142	0.9482	3.8744	3.8744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.548
B2	C1	H5	121.548	B2	O3	H6	114.687
H4	C1	H5	116.904

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

using model chemistry: HF/cc-pVDZ

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	-0.276
2	B	0.101
3	O	-0.132
4	H	0.057
5	H	0.057
6	H	0.194

	x	y	z	Total
	-1.657	-1.852	0.000	2.485
CHELPG
AIM
ESP

	x	y	z
x	2.963	0.175	0.000
y	0.175	5.607	0.000
z	0.000	0.000	2.726

<r²>	49.372
(<r²>)^1/2	7.027

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

using model chemistry: HF/cc-pVDZ

States and conformations

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