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	hartrees
Energy at 0K	-26.203060
Energy at 298.15K	-26.205176
HF Energy	-26.203060
Nuclear repulsion energy	28.733356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3883	3883	131.31
2	A'	3198	3198	3.10
3	A'	1799	1799	422.15
4	A'	1371	1371	2.74
5	A'	997	997	195.47
6	A'	938	938	3.83
7	A'	641	641	117.00
8	A'	352	352	19.02
9	A"	3289	3289	2.01
10	A"	801	801	61.85
11	A"	579	579	101.56
12	A"	322	322	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.411	0.000
B2	0.040	-0.004	0.000
O3	0.040	-1.335	0.000
H4	0.040	1.980	0.933
H5	0.040	1.980	-0.933
H6	-0.847	-1.724	0.000

	C1	B2	O3	H4	H5	H6
C1		1.4142	2.7458	1.0931	1.0931	3.2578
B2	1.4142		1.3315	2.1919	2.1919	1.9358
O3	2.7458	1.3315		3.4437	3.4437	0.9691
H4	1.0931	2.1919	3.4437		1.8666	3.9212
H5	1.0931	2.1919	3.4437	1.8666		3.9212
H6	3.2578	1.9358	0.9691	3.9212	3.9212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.372
B2	C1	H5	121.372	B2	O3	H6	113.650
H4	C1	H5	117.256

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

using model chemistry: wB97X-D/CEP-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	-0.161
2	B	-0.370
3	O	-0.318
4	H	0.206
5	H	0.206
6	H	0.437

	x	y	z	Total
	-1.733	-1.690	0.000	2.420
CHELPG
AIM
ESP

	x	y	z
x	3.484	0.192	0.000
y	0.192	5.963	0.000
z	0.000	0.000	2.679

<r²>	42.774
(<r²>)^1/2	6.540

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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