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	hartrees
Energy at 0K	-139.811879
Energy at 298.15K	-139.814036
HF Energy	-139.686591
Nuclear repulsion energy	54.768397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3760	3569	109.35
2	A'	3208	3045	4.47
3	A'	1817	1725	309.01
4	A'	1406	1335	1.60
5	A'	1029	977	177.90
6	A'	945	897	9.62
7	A'	649	616	90.72
8	A'	344	326	17.47
9	A"	3283	3116	0.16
10	A"	810	769	50.75
11	A"	626	594	91.10
12	A"	326	309	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.393	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.324	0.000
H4	0.040	1.966	0.920
H5	0.040	1.966	-0.920
H6	-0.849	-1.712	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3898	2.7174	1.0839	1.0839	3.2301
B2	1.3898		1.3276	2.1675	2.1675	1.9322
O3	2.7174	1.3276		3.4164	3.4164	0.9699
H4	1.0839	2.1675	3.4164		1.8405	3.8943
H5	1.0839	2.1675	3.4164	1.8405		3.8943
H6	3.2301	1.9322	0.9699	3.8943	3.8943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.894
B2	C1	H5	121.894	B2	O3	H6	113.581
H4	C1	H5	116.211

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

using model chemistry: B2PLYP/6-31G*

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	-0.504
2	B	0.243
3	O	-0.510
4	H	0.161
5	H	0.161
6	H	0.448

	x	y	z	Total
	-1.697	-1.595	0.000	2.329
CHELPG
AIM
ESP

	x	y	z
x	2.309	0.225	0.000
y	0.225	5.817	0.000
z	0.000	0.000	2.621

<r²>	49.508
(<r²>)^1/2	7.036

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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