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	hartrees
Energy at 0K	-139.862739
Energy at 298.15K	-139.864951
HF Energy	-139.862739
Nuclear repulsion energy	54.687137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3765	3591	98.81
2	A'	3208	3059	6.04
3	A'	1833	1749	302.15
4	A'	1403	1338	7.14
5	A'	952	908	22.54
6	A'	894	853	287.78
7	A'	746	711	136.05
8	A'	354	337	24.37
9	A"	3290	3138	0.23
10	A"	829	790	77.29
11	A"	634	604	140.32
12	A"	332	316	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	1.397	0.000
B2	0.037	0.013	0.000
O3	0.037	-1.318	0.000
H4	0.037	1.974	0.917
H5	0.037	1.974	-0.917
H6	-0.770	-1.853	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3848	2.7152	1.0836	1.0836	3.3485
B2	1.3848		1.3304	2.1656	2.1656	2.0321
O3	2.7152	1.3304		3.4175	3.4175	0.9679
H4	1.0836	2.1656	3.4175		1.8346	4.0170
H5	1.0836	2.1656	3.4175	1.8346		4.0170
H6	3.3485	2.0321	0.9679	4.0170	4.0170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.166
B2	C1	H5	122.166	B2	O3	H6	123.535
H4	C1	H5	115.669

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

using model chemistry: B1B95/6-31G

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	-0.498
2	B	0.362
3	O	-0.615
4	H	0.165
5	H	0.165
6	H	0.421

	x	y	z	Total
	-1.895	-1.652	0.000	2.514
CHELPG
AIM
ESP

	x	y	z
x	2.038	0.261	0.000
y	0.261	5.988	0.000
z	0.000	0.000	2.417

<r²>	49.748
(<r²>)^1/2	7.053

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

using model chemistry: B1B95/6-31G

States and conformations

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