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	hartrees
Energy at 0K	-140.021083
Energy at 298.15K	-140.023282
HF Energy	-140.021083
Nuclear repulsion energy	55.032408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3807	3681	123.68
2	A'	3149	3045	5.75
3	A'	1809	1749	349.19
4	A'	1360	1315	5.12
5	A'	1016	982	164.49
6	A'	947	915	12.43
7	A'	650	629	90.26
8	A'	367	355	15.69
9	A"	3221	3114	0.00
10	A"	794	768	48.63
11	A"	616	596	87.91
12	A"	332	321	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.386	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.315	0.000
H4	0.040	1.960	0.919
H5	0.040	1.960	-0.919
H6	-0.833	-1.726	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3826	2.7012	1.0836	1.0836	3.2320
B2	1.3826		1.3186	2.1615	2.1615	1.9371
O3	2.7012	1.3186		3.4015	3.4015	0.9645
H4	1.0836	2.1615	3.4015		1.8384	3.8976
H5	1.0836	2.1615	3.4015	1.8384		3.8976
H6	3.2320	1.9371	0.9645	3.8976	3.8976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.972
B2	C1	H5	121.972	B2	O3	H6	115.203
H4	C1	H5	116.056

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

using model chemistry: B3LYP/6-311G**

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	-0.539
2	B	0.303
3	O	-0.275
4	H	0.115
5	H	0.115
6	H	0.282

	x	y	z	Total
	-1.629	-1.760	0.000	2.398
CHELPG
AIM
ESP

	x	y	z
x	3.050	0.189	0.000
y	0.189	6.180	0.000
z	0.000	0.000	2.910

<r²>	49.435
(<r²>)^1/2	7.031

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

using model chemistry: B3LYP/6-311G**

States and conformations

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