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	hartrees
Energy at 0K	-139.122727
Energy at 298.15K	-139.125168
HF Energy	-139.122727
Nuclear repulsion energy	54.846869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4134	3720	245.34
2	A'	3338	3004	3.38
3	A'	1891	1701	504.30
4	A'	1520	1368	6.52
5	A'	980	882	33.52
6	A'	947	852	372.54
7	A'	878	790	170.77
8	A'	444	400	28.84
9	A"	3431	3087	3.71
10	A"	931	838	98.26
11	A"	617	556	195.41
12	A"	390	351	1.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.035	1.400	0.000
B2	0.035	0.012	0.000
O3	0.035	-1.314	0.000
H4	0.035	1.969	0.912
H5	0.035	1.969	-0.912
H6	-0.725	-1.883	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3883	2.7146	1.0750	1.0750	3.3697
B2	1.3883		1.3263	2.1593	2.1593	2.0412
O3	2.7146	1.3263		3.4079	3.4079	0.9487
H4	1.0750	2.1593	3.4079		1.8243	4.0306
H5	1.0750	2.1593	3.4079	1.8243		4.0306
H6	3.3697	2.0412	0.9487	4.0306	4.0306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.953
B2	C1	H5	121.953	B2	O3	H6	126.806
H4	C1	H5	116.095

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

using model chemistry: HF/LANL2DZ

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	-0.657
2	B	0.424
3	O	-0.627
4	H	0.198
5	H	0.198
6	H	0.464

	x	y	z	Total
	-1.901	-1.835	0.000	2.642
CHELPG
AIM
ESP

	x	y	z
x	2.744	0.212	0.000
y	0.212	5.804	0.000
z	0.000	0.000	2.290

<r²>	50.355
(<r²>)^1/2	7.096

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

using model chemistry: HF/LANL2DZ

States and conformations

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