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	hartrees
Energy at 0K	-140.034265
Energy at 298.15K	-140.036457
HF Energy	-140.034265
Nuclear repulsion energy	54.958750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3794	3663	135.89
2	A'	3157	3048	7.58
3	A'	1799	1737	392.57
4	A'	1363	1316	4.25
5	A'	976	942	171.72
6	A'	946	913	6.46
7	A'	663	640	98.73
8	A'	368	355	16.72
9	A"	3228	3116	0.23
10	A"	797	769	54.67
11	A"	598	577	99.46
12	A"	334	323	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.388	0.000
B2	0.039	0.004	0.000
O3	0.039	-1.317	0.000
H4	0.039	1.963	0.918
H5	0.039	1.963	-0.918
H6	-0.828	-1.741	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3843	2.7054	1.0827	1.0827	3.2469
B2	1.3843		1.3210	2.1631	2.1631	1.9482
O3	2.7054	1.3210		3.4058	3.4058	0.9651
H4	1.0827	2.1631	3.4058		1.8355	3.9127
H5	1.0827	2.1631	3.4058	1.8355		3.9127
H6	3.2469	1.9482	0.9651	3.9127	3.9127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.045
B2	C1	H5	122.045	B2	O3	H6	116.035
H4	C1	H5	115.910

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

using model chemistry: B3LYP/TZVP

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	-0.550
2	B	0.405
3	O	-0.428
4	H	0.130
5	H	0.130
6	H	0.313

	x	y	z	Total
	-1.645	-1.737	0.000	2.393
CHELPG
AIM
ESP

	x	y	z
x	3.901	0.170	0.000
y	0.170	6.578	0.000
z	0.000	0.000	3.020

<r²>	49.809
(<r²>)^1/2	7.058

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

using model chemistry: B3LYP/TZVP

States and conformations

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