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	hartrees
Energy at 0K	-139.955223
Energy at 298.15K	-139.957460
HF Energy	-139.955223
Nuclear repulsion energy	55.129801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3885	3885	165.15
2	A'	3185	3185	11.54
3	A'	1830	1830	396.59
4	A'	1361	1361	4.42
5	A'	1023	1023	179.81
6	A'	958	958	8.33
7	A'	679	679	99.10
8	A'	380	380	16.19
9	A"	3267	3267	1.27
10	A"	788	788	61.72
11	A"	623	623	87.97
12	A"	336	336	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.384	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.313	0.000
H4	0.040	1.953	0.920
H5	0.040	1.953	-0.920
H6	-0.834	-1.716	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3803	2.6970	1.0822	1.0822	3.2202
B2	1.3803		1.3167	2.1559	2.1559	1.9285
O3	2.6970	1.3167		3.3934	3.3934	0.9623
H4	1.0822	2.1559	3.3934		1.8408	3.8819
H5	1.0822	2.1559	3.3934	1.8408		3.8819
H6	3.2202	1.9285	0.9623	3.8819	3.8819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.735
B2	C1	H5	121.735	B2	O3	H6	114.708
H4	C1	H5	116.531

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

using model chemistry: M06-2X/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	-0.650
2	B	0.381
3	O	-0.314
4	H	0.142
5	H	0.142
6	H	0.298

	x	y	z	Total
	-1.646	-1.743	0.000	2.398
CHELPG
AIM
ESP

	x	y	z
x	3.063	0.190	0.000
y	0.190	6.021	0.000
z	0.000	0.000	2.849

<r²>	49.281
(<r²>)^1/2	7.020

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

using model chemistry: M06-2X/6-311G**

States and conformations

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