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	hartrees
Energy at 0K	-139.857272
Energy at 298.15K	-139.859444
HF Energy	-139.718745
Nuclear repulsion energy	54.663623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3814	3814	149.19
2	A'	3183	3183	7.99
3	A'	1783	1783	382.15
4	A'	1349	1349	2.86
5	A'	1024	1024	152.59
6	A'	929	929	15.27
7	A'	649	649	77.09
8	A'	363	363	14.85
9	A"	3269	3269	0.15
10	A"	787	787	29.92
11	A"	593	593	81.73
12	A"	326	326	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.397	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.326	0.000
H4	0.040	1.970	0.926
H5	0.040	1.970	-0.926
H6	-0.838	-1.728	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3940	2.7226	1.0894	1.0894	3.2462
B2	1.3940		1.3286	2.1744	2.1744	1.9412
O3	2.7226	1.3286		3.4235	3.4235	0.9662
H4	1.0894	2.1744	3.4235		1.8529	3.9124
H5	1.0894	2.1744	3.4235	1.8529		3.9124
H6	3.2462	1.9412	0.9662	3.9124	3.9124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.742
B2	C1	H5	121.742	B2	O3	H6	114.617
H4	C1	H5	116.517

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

using model chemistry: B2PLYP/aug-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	0.723
2	B	0.005
3	O	-0.194
4	H	-0.365
5	H	-0.365
6	H	0.195

	x	y	z	Total
	-1.481	-1.772	0.000	2.309
CHELPG
AIM
ESP

	x	y	z
x	4.905	0.159	-0.000
y	0.159	6.963	0.000
z	-0.000	0.000	3.983

<r²>	50.395
(<r²>)^1/2	7.099

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

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

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