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	hartrees
Energy at 0K	-137.962222
Energy at 298.15K	-137.964427
HF Energy	-137.962222
Nuclear repulsion energy	54.906378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3802	3354	0.46
2	A'	3440	3034	47.71
3	A'	2036	1796	145.58
4	A'	1558	1374	2.33
5	A'	1192	1052	92.26
6	A'	1014	894	20.25
7	A'	816	720	46.67
8	A'	369	325	14.55
9	A"	3570	3149	4.29
10	A"	897	791	47.62
11	A"	758	668	54.67
12	A"	337	297	1.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	1.373	0.000
B2	0.043	0.011	0.000
O3	0.043	-1.316	0.000
H4	0.043	1.963	0.916
H5	0.043	1.963	-0.916
H6	-0.901	-1.686	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3626	2.6895	1.0898	1.0898	3.2016
B2	1.3626		1.3270	2.1570	2.1570	1.9415
O3	2.6895	1.3270		3.4052	3.4052	1.0135
H4	1.0898	2.1570	3.4052		1.8325	3.8793
H5	1.0898	2.1570	3.4052	1.8325		3.8793
H6	3.2016	1.9415	1.0135	3.8793	3.8793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.785
B2	C1	H5	122.785	B2	O3	H6	111.404
H4	C1	H5	114.431

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

using model chemistry: PBE1PBE/STO-3G

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	-0.361
2	B	0.245
3	O	-0.268
4	H	0.071
5	H	0.071
6	H	0.242

	x	y	z	Total
	-1.468	-1.705	0.000	2.250
CHELPG
AIM
ESP

	x	y	z
x	0.860	0.427	0.000
y	0.427	4.122	0.000
z	0.000	0.000	1.247

<r²>	47.950
(<r²>)^1/2	6.925

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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