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	hartrees
Energy at 0K	-139.217937
Energy at 298.15K	-139.220295
HF Energy	-139.217937
Nuclear repulsion energy	55.482670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4142	3762	223.99
2	A'	3288	2987	4.24
3	A'	1866	1695	503.54
4	A'	1484	1348	0.56
5	A'	1065	968	205.56
6	A'	991	900	7.86
7	A'	762	693	100.66
8	A'	419	381	16.74
9	A"	3362	3054	0.21
10	A"	857	779	47.67
11	A"	592	537	101.21
12	A"	360	327	3.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	1.381	0.000
B2	0.038	0.000	0.000
O3	0.038	-1.305	0.000
H4	0.038	1.944	0.913
H5	0.038	1.944	-0.913
H6	-0.802	-1.731	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3805	2.6857	1.0732	1.0732	3.2229
B2	1.3805		1.3053	2.1481	2.1481	1.9240
O3	2.6857	1.3053		3.3754	3.3754	0.9415
H4	1.0732	2.1481	3.3754		1.8262	3.8791
H5	1.0732	2.1481	3.3754	1.8262		3.8791
H6	3.2229	1.9240	0.9415	3.8791	3.8791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.697
B2	C1	H5	121.697	B2	O3	H6	116.889
H4	C1	H5	116.605

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

using model chemistry: HF/cc-pVQZ

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	-0.580
2	B	0.511
3	O	-0.437
4	H	0.116
5	H	0.116
6	H	0.274

	x	y	z	Total
	-1.524	-1.948	0.000	2.473
CHELPG
AIM
ESP

	x	y	z
x	4.325	0.145	0.000
y	0.145	6.087	0.000
z	0.000	0.000	3.435

<r²>	49.227
(<r²>)^1/2	7.016

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

using model chemistry: HF/cc-pVQZ

States and conformations

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