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	hartrees
Energy at 0K	-139.962141
Energy at 298.15K	-139.964403
HF Energy	-139.962141
Nuclear repulsion energy	54.387680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3765	3619	106.81
2	A'	3176	3053	6.41
3	A'	1822	1751	350.08
4	A'	1391	1337	14.15
5	A'	938	902	11.49
6	A'	887	853	295.11
7	A'	752	723	155.76
8	A'	385	370	23.58
9	A"	3266	3139	1.64
10	A"	847	814	71.75
11	A"	616	592	146.32
12	A"	360	346	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.407	0.000
B2	0.037	0.012	0.000
O3	0.037	-1.325	0.000
H4	0.037	1.983	0.923
H5	0.037	1.983	-0.923
H6	-0.771	-1.868	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3951	2.7312	1.0878	1.0878	3.3730
B2	1.3951		1.3361	2.1765	2.1765	2.0459
O3	2.7312	1.3361		3.4336	3.4336	0.9736
H4	1.0878	2.1765	3.4336		1.8454	4.0415
H5	1.0878	2.1765	3.4336	1.8454		4.0415
H6	3.3730	2.0459	0.9736	4.0415	4.0415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.979
B2	C1	H5	121.979	B2	O3	H6	123.943
H4	C1	H5	116.043

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

using model chemistry: B3LYP/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	-0.560
2	B	0.200
3	O	-0.457
4	H	0.200
5	H	0.200
6	H	0.416

	x	y	z	Total
	-1.878	-1.637	0.000	2.491
CHELPG
AIM
ESP

	x	y	z
x	2.766	0.244	0.000
y	0.244	6.260	0.000
z	0.000	0.000	2.444

<r²>	50.480
(<r²>)^1/2	7.105

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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