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	hartrees
Energy at 0K	-26.167516
Energy at 298.15K	-26.169710
HF Energy	-26.167516
Nuclear repulsion energy	28.591171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3874	3874	118.70
2	A'	3207	3207	5.02
3	A'	1807	1807	393.51
4	A'	1395	1395	8.99
5	A'	936	936	1.05
6	A'	842	842	323.94
7	A'	746	746	170.33
8	A'	367	367	30.61
9	A"	3313	3313	3.26
10	A"	849	849	80.60
11	A"	598	598	162.22
12	A"	334	334	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.421	0.000
B2	0.037	0.006	0.000
O3	0.037	-1.332	0.000
H4	0.037	1.992	0.931
H5	0.037	1.992	-0.931
H6	-0.767	-1.878	0.000

	C1	B2	O3	H4	H5	H6
C1		1.4144	2.7530	1.0924	1.0924	3.3956
B2	1.4144		1.3386	2.1930	2.1930	2.0489
O3	2.7530	1.3386		3.4520	3.4520	0.9717
H4	1.0924	2.1930	3.4520		1.8626	4.0609
H5	1.0924	2.1930	3.4520	1.8626		4.0609
H6	3.3956	2.0489	0.9717	4.0609	4.0609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.515
B2	C1	H5	121.515	B2	O3	H6	124.193
H4	C1	H5	116.971

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	-0.118
2	B	-0.335
3	O	-0.346
4	H	0.191
5	H	0.191
6	H	0.417

	x	y	z	Total
	-1.923	-1.762	0.000	2.608
CHELPG
AIM
ESP

	x	y	z
x	3.172	0.243	0.000
y	0.243	6.090	0.000
z	0.000	0.000	2.443

<r²>	43.341
(<r²>)^1/2	6.583

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)