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	hartrees
Energy at 0K	-138.384255
Energy at 298.15K	-138.386659
HF Energy	-138.384255
Nuclear repulsion energy	54.744355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3900	3520	176.98
2	A'	3315	2992	3.37
3	A'	1932	1743	364.23
4	A'	1537	1387	5.08
5	A'	1021	921	189.72
6	A'	988	891	169.40
7	A'	884	798	152.33
8	A'	396	358	26.07
9	A"	3382	3052	0.34
10	A"	929	839	93.38
11	A"	643	581	153.69
12	A"	361	326	3.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.396	0.000
B2	0.037	0.016	0.000
O3	0.037	-1.320	0.000
H4	0.037	1.968	0.911
H5	0.037	1.968	-0.911
H6	-0.782	-1.831	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3804	2.7163	1.0753	1.0753	3.3296
B2	1.3804		1.3359	2.1542	2.1542	2.0204
O3	2.7163	1.3359		3.4120	3.4120	0.9655
H4	1.0753	2.1542	3.4120		1.8211	3.9918
H5	1.0753	2.1542	3.4120	1.8211		3.9918
H6	3.3296	2.0204	0.9655	3.9918	3.9918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.136
B2	C1	H5	122.136	B2	O3	H6	121.958
H4	C1	H5	115.728

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

using model chemistry: HF/3-21G*

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	-0.897
2	B	0.747
3	O	-0.708
4	H	0.212
5	H	0.212
6	H	0.434

	x	y	z	Total
	-1.984	-1.808	0.000	2.684
CHELPG
AIM
ESP

	x	y	z
x	1.966	0.288	0.000
y	0.288	5.423	0.000
z	0.000	0.000	2.183

<r²>	50.012
(<r²>)^1/2	7.072

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

using model chemistry: HF/3-21G*

States and conformations

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