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	hartrees
Energy at 0K	-139.203674
Energy at 298.15K	-139.205712
HF Energy	-139.203674
Nuclear repulsion energy	54.789541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3670	3630	130.90
2	A'	3112	3078	17.16
3	A'	1820	1800	305.26
4	A'	1242	1229	9.12
5	A'	971	961	147.42
6	A'	939	929	7.28
7	A'	572	566	82.59
8	A'	344	340	14.82
9	A"	3203	3168	4.73
10	A"	733	725	44.15
11	A"	609	603	72.30
12	A"	293	290	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	1.388	0.000
B2	0.041	-0.001	0.000
O3	0.041	-1.318	0.000
H4	0.041	1.967	0.936
H5	0.041	1.967	-0.936
H6	-0.855	-1.713	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3894	2.7065	1.1006	1.1006	3.2286
B2	1.3894		1.3171	2.1792	2.1792	1.9326
O3	2.7065	1.3171		3.4157	3.4157	0.9791
H4	1.1006	2.1792	3.4157		1.8727	3.9017
H5	1.1006	2.1792	3.4157	1.8727		3.9017
H6	3.2286	1.9326	0.9791	3.9017	3.9017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.704
B2	C1	H5	121.704	B2	O3	H6	113.815
H4	C1	H5	116.593

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

using model chemistry: LSDA/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	-0.236
2	B	-0.125
3	O	-0.002
4	H	0.079
5	H	0.079
6	H	0.205

	x	y	z	Total
	-1.623	-1.769	0.000	2.401
CHELPG
AIM
ESP

	x	y	z
x	2.986	0.223	0.000
y	0.223	6.199	0.000
z	0.000	0.000	2.998

<r²>	49.393
(<r²>)^1/2	7.028

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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