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	hartrees
Energy at 0K	-139.973030
Energy at 298.15K	-139.975164
HF Energy	-139.973030
Nuclear repulsion energy	54.730191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3781	3625	87.41
2	A'	3178	3046	2.60
3	A'	1805	1730	304.07
4	A'	1381	1324	1.93
5	A'	1011	969	163.62
6	A'	940	901	14.41
7	A'	633	607	84.01
8	A'	338	324	16.23
9	A"	3254	3120	0.45
10	A"	797	764	45.14
11	A"	626	600	85.68
12	A"	318	305	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.394	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.325	0.000
H4	0.040	1.968	0.921
H5	0.040	1.968	-0.921
H6	-0.844	-1.721	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3912	2.7192	1.0851	1.0851	3.2383
B2	1.3912		1.3280	2.1701	2.1701	1.9376
O3	2.7192	1.3280		3.4193	3.4193	0.9692
H4	1.0851	2.1701	3.4193		1.8420	3.9037
H5	1.0851	2.1701	3.4193	1.8420		3.9037
H6	3.2383	1.9376	0.9692	3.9037	3.9037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.922
B2	C1	H5	121.922	B2	O3	H6	114.108
H4	C1	H5	116.157

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

using model chemistry: TPSSh/6-31G**

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	-0.450
2	B	0.269
3	O	-0.424
4	H	0.129
5	H	0.129
6	H	0.348

	x	y	z	Total
	-1.639	-1.639	0.000	2.318
CHELPG
AIM
ESP

	x	y	z
x	2.388	0.235	0.000
y	0.235	5.983	0.000
z	0.000	0.000	2.703

<r²>	49.472
(<r²>)^1/2	7.034

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

using model chemistry: TPSSh/6-31G**

States and conformations

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