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	hartrees
Energy at 0K	-139.218450
Energy at 298.15K	-139.220804
HF Energy	-139.218450
Nuclear repulsion energy	55.476823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4142	3763	226.11
2	A'	3288	2987	4.78
3	A'	1863	1693	523.42
4	A'	1484	1348	0.49
5	A'	1062	965	205.71
6	A'	991	900	7.30
7	A'	763	693	100.08
8	A'	419	380	17.16
9	A"	3363	3055	0.18
10	A"	858	779	44.98
11	A"	587	534	100.79
12	A"	360	327	3.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	1.381	0.000
B2	0.038	-0.000	0.000
O3	0.038	-1.305	0.000
H4	0.038	1.945	0.913
H5	0.038	1.945	-0.913
H6	-0.801	-1.733	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3809	2.6861	1.0732	1.0732	3.2249
B2	1.3809		1.3051	2.1484	2.1484	1.9253
O3	2.6861	1.3051		3.3757	3.3757	0.9415
H4	1.0732	2.1484	3.3757		1.8263	3.8811
H5	1.0732	2.1484	3.3757	1.8263		3.8811
H6	3.2249	1.9253	0.9415	3.8811	3.8811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.690
B2	C1	H5	121.690	B2	O3	H6	117.027
H4	C1	H5	116.620

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

using model chemistry: HF/aug-cc-pVQZ

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	-1.050
2	B	0.952
3	O	-0.993
4	H	0.380
5	H	0.380
6	H	0.331

	x	y	z	Total
	-1.500	-1.974	0.000	2.479
CHELPG
AIM
ESP

	x	y	z
x	4.769	0.146	0.000
y	0.146	6.256	0.000
z	0.000	0.000	3.801

<r²>	49.291
(<r²>)^1/2	7.021

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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