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	hartrees
Energy at 0K	-139.923842
Energy at 298.15K	-139.925977
HF Energy	-139.923842
Nuclear repulsion energy	54.773957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3793	3661	135.28
2	A'	3175	3064	7.98
3	A'	1812	1749	338.66
4	A'	1317	1271	4.19
5	A'	1023	987	146.63
6	A'	941	908	13.19
7	A'	617	596	76.42
8	A'	356	343	14.06
9	A"	3264	3150	0.90
10	A"	776	749	42.48
11	A"	610	589	77.82
12	A"	314	303	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.392	0.000
B2	0.040	0.001	0.000
O3	0.040	-1.322	0.000
H4	0.040	1.966	0.930
H5	0.040	1.966	-0.930
H6	-0.848	-1.709	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3914	2.7145	1.0926	1.0926	3.2254
B2	1.3914		1.3231	2.1740	2.1740	1.9263
O3	2.7145	1.3231		3.4171	3.4171	0.9686
H4	1.0926	2.1740	3.4171		1.8598	3.8928
H5	1.0926	2.1740	3.4171	1.8598		3.8928
H6	3.2254	1.9263	0.9686	3.8928	3.8928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.670
B2	C1	H5	121.670	B2	O3	H6	113.493
H4	C1	H5	116.660

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

using model chemistry: B3PW91/cc-pVDZ

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	-0.242
2	B	-0.022
3	O	-0.044
4	H	0.061
5	H	0.061
6	H	0.187

	x	y	z	Total
	-1.596	-1.752	0.000	2.370
CHELPG
AIM
ESP

	x	y	z
x	2.983	0.200	0.000
y	0.200	6.017	0.000
z	0.000	0.000	2.901

<r²>	49.523
(<r²>)^1/2	7.037

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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