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	hartrees
Energy at 0K	-140.009953
Energy at 298.15K	-140.012153
HF Energy	-140.009953
Nuclear repulsion energy	55.014071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3644	87.75
2	A'	3145	3039	3.02
3	A'	1810	1749	346.78
4	A'	1378	1331	4.76
5	A'	1024	989	183.75
6	A'	946	914	8.68
7	A'	640	619	98.62
8	A'	364	352	17.36
9	A"	3213	3105	0.50
10	A"	806	779	53.41
11	A"	629	608	100.23
12	A"	337	326	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.386	0.000
B2	0.039	0.003	0.000
O3	0.039	-1.315	0.000
H4	0.039	1.964	0.918
H5	0.039	1.964	-0.918
H6	-0.828	-1.737	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3832	2.7011	1.0847	1.0847	3.2417
B2	1.3832		1.3179	2.1650	2.1650	1.9445
O3	2.7011	1.3179		3.4047	3.4047	0.9649
H4	1.0847	2.1650	3.4047		1.8365	3.9106
H5	1.0847	2.1650	3.4047	1.8365		3.9106
H6	3.2417	1.9445	0.9649	3.9106	3.9106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.166
B2	C1	H5	122.166	B2	O3	H6	115.960
H4	C1	H5	115.668

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

using model chemistry: B3LYPultrafine/6-311G*

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	-0.787
2	B	0.423
3	O	-0.473
4	H	0.206
5	H	0.206
6	H	0.426

	x	y	z	Total
	-1.727	-1.748	0.000	2.457
CHELPG
AIM
ESP

	x	y	z
x	2.993	0.194	0.000
y	0.194	6.160	0.000
z	0.000	0.000	2.842

<r²>	49.497
(<r²>)^1/2	7.035

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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