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	hartrees
Energy at 0K	-139.123172
Energy at 298.15K	-139.125615
HF Energy	-139.123172
Nuclear repulsion energy	54.868381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4133	3721	246.83
2	A'	3338	3005	3.60
3	A'	1891	1703	507.19
4	A'	1520	1368	6.70
5	A'	979	882	37.55
6	A'	947	853	367.67
7	A'	878	791	169.10
8	A'	445	401	28.82
9	A"	3430	3088	3.49
10	A"	930	837	98.49
11	A"	618	557	194.31
12	A"	390	351	1.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.035	1.399	0.000
B2	0.035	0.012	0.000
O3	0.035	-1.314	0.000
H4	0.035	1.968	0.912
H5	0.035	1.968	-0.912
H6	-0.725	-1.882	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3875	2.7132	1.0750	1.0750	3.3682
B2	1.3875		1.3258	2.1586	2.1586	2.0406
O3	2.7132	1.3258		3.4066	3.4066	0.9487
H4	1.0750	2.1586	3.4066		1.8240	4.0293
H5	1.0750	2.1586	3.4066	1.8240		4.0293
H6	3.3682	2.0406	0.9487	4.0293	4.0293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.964
B2	C1	H5	121.964	B2	O3	H6	126.792
H4	C1	H5	116.072

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

using model chemistry: HF/SDD

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	-0.671
2	B	0.437
3	O	-0.630
4	H	0.199
5	H	0.199
6	H	0.465

	x	y	z	Total
	-1.898	-1.837	0.000	2.642
CHELPG
AIM
ESP

	x	y	z
x	2.766	0.210	0.000
y	0.210	5.808	0.000
z	0.000	0.000	2.293

<r²>	50.318
(<r²>)^1/2	7.094

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

using model chemistry: HF/SDD

States and conformations

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