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	hartrees
Energy at 0K	-139.983262
Energy at 298.15K	-139.985406
HF Energy	-139.983262
Nuclear repulsion energy	54.755857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3757	3644	122.62
2	A'	3159	3064	6.28
3	A'	1806	1752	330.71
4	A'	1324	1285	3.18
5	A'	1027	996	147.23
6	A'	940	911	13.25
7	A'	627	608	71.00
8	A'	352	342	13.47
9	A"	3241	3144	0.14
10	A"	784	761	38.48
11	A"	612	594	78.43
12	A"	315	306	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.392	0.000
B2	0.040	0.001	0.000
O3	0.040	-1.322	0.000
H4	0.040	1.967	0.929
H5	0.040	1.967	-0.929
H6	-0.847	-1.716	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3910	2.7144	1.0929	1.0929	3.2321
B2	1.3910		1.3235	2.1745	2.1745	1.9326
O3	2.7144	1.3235		3.4181	3.4181	0.9703
H4	1.0929	2.1745	3.4181		1.8589	3.9006
H5	1.0929	2.1745	3.4181	1.8589		3.9006
H6	3.2321	1.9326	0.9703	3.9006	3.9006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.739
B2	C1	H5	121.739	B2	O3	H6	113.933
H4	C1	H5	116.522

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.149
2	B	-0.073
3	O	-0.026
4	H	0.034
5	H	0.034
6	H	0.180

	x	y	z	Total
	-1.591	-1.752	0.000	2.366
CHELPG
AIM
ESP

	x	y	z
x	2.976	0.214	0.000
y	0.214	6.062	0.000
z	0.000	0.000	2.916

<r²>	49.629
(<r²>)^1/2	7.045

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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