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	hartrees
Energy at 0K	-139.931124
Energy at 298.15K	-139.933182
HF Energy	-139.931124
Nuclear repulsion energy	54.372832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3587	3593	80.60
2	A'	3080	3085	4.66
3	A'	1757	1760	277.31
4	A'	1285	1287	3.76
5	A'	1006	1007	124.78
6	A'	912	913	15.59
7	A'	590	591	62.69
8	A'	325	325	12.34
9	A"	3157	3162
10	A"	766	767	29.77
11	A"	611	612	71.98
12	A"	305	305	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	1.401	0.000
B2	0.041	0.002	0.000
O3	0.041	-1.332	0.000
H4	0.041	1.981	0.934
H5	0.041	1.981	-0.934
H6	-0.859	-1.724	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3990	2.7324	1.0998	1.0998	3.2515
B2	1.3990		1.3334	2.1887	2.1887	1.9460
O3	2.7324	1.3334		3.4420	3.4420	0.9812
H4	1.0998	2.1887	3.4420		1.8685	3.9253
H5	1.0998	2.1887	3.4420	1.8685		3.9253
H6	3.2515	1.9460	0.9812	3.9253	3.9253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.847
B2	C1	H5	121.847	B2	O3	H6	113.560
H4	C1	H5	116.307

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

using model chemistry: BLYP/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	-0.087
2	B	-0.127
3	O	0.003
4	H	0.020
5	H	0.020
6	H	0.172

	x	y	z	Total
	-1.561	-1.723	0.000	2.324
CHELPG
AIM
ESP

	x	y	z
x	3.020	0.239	0.000
y	0.239	6.339	0.000
z	0.000	0.000	3.015

<r²>	50.171
(<r²>)^1/2	7.083

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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