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	hartrees
Energy at 0K	-139.092177
Energy at 298.15K	-139.094562
HF Energy	-139.092177
Nuclear repulsion energy	54.976290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4084	3688	216.25
2	A'	3331	3007	2.63
3	A'	1886	1703	407.48
4	A'	1528	1380	1.78
5	A'	988	892	73.35
6	A'	942	850	332.93
7	A'	876	791	154.96
8	A'	400	361	28.30
9	A"	3407	3076	1.61
10	A"	919	830	98.57
11	A"	620	560	189.28
12	A"	369	333	2.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.035	1.395	0.000
B2	0.035	0.014	0.000
O3	0.035	-1.312	0.000
H4	0.035	1.965	0.910
H5	0.035	1.965	-0.910
H6	-0.728	-1.873	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3812	2.7064	1.0744	1.0744	3.3561
B2	1.3812		1.3252	2.1537	2.1537	2.0354
O3	2.7064	1.3252		3.4011	3.4011	0.9476
H4	1.0744	2.1537	3.4011		1.8206	4.0184
H5	1.0744	2.1537	3.4011	1.8206		4.0184
H6	3.3561	2.0354	0.9476	4.0184	4.0184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.082
B2	C1	H5	122.082	B2	O3	H6	126.353
H4	C1	H5	115.835

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

using model chemistry: HF/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	-0.590
2	B	0.556
3	O	-0.778
4	H	0.177
5	H	0.177
6	H	0.458

	x	y	z	Total
	-1.928	-1.751	0.000	2.605
CHELPG
AIM
ESP

	x	y	z
x	1.988	0.232	0.000
y	0.232	5.622	0.000
z	0.000	0.000	2.291

<r²>	49.845
(<r²>)^1/2	7.060

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

using model chemistry: HF/6-31G

States and conformations

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