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	hartrees
Energy at 0K	-139.021245
Energy at 298.15K	-139.023413
HF Energy	-139.021245
Nuclear repulsion energy	53.938421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3357	3327	29.60
2	A'	3094	3065	5.84
3	A'	1810	1794	194.65
4	A'	1368	1356	14.71
5	A'	971	963	134.51
6	A'	917	908	80.95
7	A'	696	690	120.03
8	A'	333	330	19.41
9	A"	3163	3135	0.01
10	A"	811	804	56.62
11	A"	652	646	96.68
12	A"	315	313	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	1.410	0.000
B2	0.041	0.013	0.000
O3	0.041	-1.339	0.000
H4	0.041	1.995	0.926
H5	0.041	1.995	-0.926
H6	-0.851	-1.802	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3974	2.7496	1.0956	1.0956	3.3338
B2	1.3974		1.3522	2.1882	2.1882	2.0221
O3	2.7496	1.3522		3.4609	3.4609	1.0045
H4	1.0956	2.1882	3.4609		1.8526	4.0092
H5	1.0956	2.1882	3.4609	1.8526		4.0092
H6	3.3338	2.0221	1.0045	4.0092	4.0092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.277
B2	C1	H5	122.277	B2	O3	H6	117.436
H4	C1	H5	115.447

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

using model chemistry: PBEPBE/3-21G

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	-0.787
2	B	0.505
3	O	-0.504
4	H	0.200
5	H	0.200
6	H	0.386

	x	y	z	Total
	-1.892	-1.679	0.000	2.530
CHELPG
AIM
ESP

	x	y	z
x	2.114	0.341	0.000
y	0.341	6.051	0.000
z	0.000	0.000	2.413

<r²>	50.622
(<r²>)^1/2	7.115

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

using model chemistry: PBEPBE/3-21G

States and conformations

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