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	hartrees
Energy at 0K	-138.070720
Energy at 298.15K	-138.072903
HF Energy	-138.070720
Nuclear repulsion energy	54.776767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3742	3312	1.61
2	A'	3409	3017	43.79
3	A'	2014	1783	138.02
4	A'	1550	1372	2.25
5	A'	1183	1047	89.30
6	A'	1003	888	19.60
7	A'	804	712	45.33
8	A'	361	319	14.31
9	A"	3536	3130	3.45
10	A"	894	791	45.16
11	A"	753	666	54.02
12	A"	335	297	2.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	1.376	0.000
B2	0.043	0.011	0.000
O3	0.043	-1.319	0.000
H4	0.043	1.968	0.918
H5	0.043	1.968	-0.918
H6	-0.904	-1.691	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3657	2.6957	1.0919	1.0919	3.2097
B2	1.3657		1.3300	2.1619	2.1619	1.9470
O3	2.6957	1.3300		3.4132	3.4132	1.0172
H4	1.0919	2.1619	3.4132		1.8352	3.8890
H5	1.0919	2.1619	3.4132	1.8352		3.8890
H6	3.2097	1.9470	1.0172	3.8890	3.8890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.821
B2	C1	H5	122.821	B2	O3	H6	111.400
H4	C1	H5	114.358

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

using model chemistry: B3PW91/STO-3G

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	-0.358
2	B	0.245
3	O	-0.266
4	H	0.069
5	H	0.069
6	H	0.240

	x	y	z	Total
	-1.459	-1.718	0.000	2.254
CHELPG
AIM
ESP

	x	y	z
x	0.872	0.435	0.000
y	0.435	4.173	0.000
z	0.000	0.000	1.258

<r²>	48.135
(<r²>)^1/2	6.938

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

using model chemistry: B3PW91/STO-3G

States and conformations

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