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	hartrees
Energy at 0K	-139.151894
Energy at 298.15K	-139.154056
HF Energy	-139.151894
Nuclear repulsion energy	53.925266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3278	19.53
2	A'	3079	3059	3.11
3	A'	1798	1786	188.39
4	A'	1386	1377	11.04
5	A'	975	969	142.28
6	A'	914	908	66.80
7	A'	698	694	104.97
8	A'	327	325	18.24
9	A"	3140	3120	0.40
10	A"	821	816	49.35
11	A"	653	649	94.13
12	A"	317	315	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	1.410	0.000
B2	0.041	0.014	0.000
O3	0.041	-1.340	0.000
H4	0.041	1.997	0.924
H5	0.041	1.997	-0.924
H6	-0.851	-1.807	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3969	2.7499	1.0942	1.0942	3.3382
B2	1.3969		1.3530	2.1878	2.1878	2.0268
O3	2.7499	1.3530		3.4617	3.4617	1.0069
H4	1.0942	2.1878	3.4617		1.8478	4.0141
H5	1.0942	2.1878	3.4617	1.8478		4.0141
H6	3.3382	2.0268	1.0069	4.0141	4.0141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.397
B2	C1	H5	122.397	B2	O3	H6	117.631
H4	C1	H5	115.205

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

using model chemistry: BLYP/3-21G*

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	-0.704
2	B	0.475
3	O	-0.487
4	H	0.172
5	H	0.172
6	H	0.371

	x	y	z	Total
	-1.862	-1.664	0.000	2.497
CHELPG
AIM
ESP

	x	y	z
x	2.109	0.363	0.000
y	0.363	6.107	0.000
z	0.000	0.000	2.408

<r²>	50.688
(<r²>)^1/2	7.120

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

using model chemistry: BLYP/3-21G*

States and conformations

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