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	hartrees
Energy at 0K	-139.155876
Energy at 298.15K	-139.158140
HF Energy	-139.155876
Nuclear repulsion energy	54.407794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3659	3468	103.68
2	A'	3189	3023	7.26
3	A'	1870	1773	274.71
4	A'	1427	1352	12.67
5	A'	980	928	106.97
6	A'	942	893	179.34
7	A'	783	742	139.64
8	A'	359	340	24.11
9	A"	3262	3091	0.07
10	A"	850	805	80.02
11	A"	651	617	116.86
12	A"	330	313	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.401	0.000
B2	0.039	0.014	0.000
O3	0.039	-1.328	0.000
H4	0.039	1.979	0.919
H5	0.039	1.979	-0.919
H6	-0.817	-1.812	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3867	2.7288	1.0860	1.0860	3.3246
B2	1.3867		1.3421	2.1696	2.1696	2.0164
O3	2.7288	1.3421		3.4327	3.4327	0.9828
H4	1.0860	2.1696	3.4327		1.8381	3.9937
H5	1.0860	2.1696	3.4327	1.8381		3.9937
H6	3.3246	2.0164	0.9828	3.9937	3.9937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.191
B2	C1	H5	122.191	B2	O3	H6	119.491
H4	C1	H5	115.618

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

using model chemistry: wB97X-D/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	-0.834
2	B	0.578
3	O	-0.578
4	H	0.212
5	H	0.212
6	H	0.410

	x	y	z	Total
	-1.948	-1.768	0.000	2.630
CHELPG
AIM
ESP

	x	y	z
x	2.011	0.290	0.000
y	0.290	5.678	0.000
z	0.000	0.000	2.314

<r²>	50.053
(<r²>)^1/2	7.075

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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