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	hartrees
Energy at 0K	-26.202398
Energy at 298.15K	-26.204470
HF Energy	-26.202398
Nuclear repulsion energy	28.657897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3776	3646	110.43
2	A'	3159	3050	2.41
3	A'	1777	1716	385.00
4	A'	1362	1316	2.68
5	A'	994	960	178.22
6	A'	927	895	7.06
7	A'	608	587	110.01
8	A'	325	314	16.07
9	A"	3241	3130	2.38
10	A"	797	770	54.84
11	A"	593	573	100.09
12	A"	322	311	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	1.413	0.000
B2	0.041	-0.002	0.000
O3	0.041	-1.338	0.000
H4	0.041	1.985	0.934
H5	0.041	1.985	-0.934
H6	-0.851	-1.735	0.000

	C1	B2	O3	H4	H5	H6
C1		1.4156	2.7509	1.0947	1.0947	3.2716
B2	1.4156		1.3354	2.1954	2.1954	1.9481
O3	2.7509	1.3354		3.4511	3.4511	0.9755
H4	1.0947	2.1954	3.4511		1.8674	3.9369
H5	1.0947	2.1954	3.4511	1.8674		3.9369
H6	3.2716	1.9481	0.9755	3.9369	3.9369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.467
B2	C1	H5	121.467	B2	O3	H6	114.010
H4	C1	H5	117.065

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

using model chemistry: B3LYP/CEP-31G*

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	-0.143
2	B	-0.371
3	O	-0.312
4	H	0.202
5	H	0.202
6	H	0.422

	x	y	z	Total
	-1.704	-1.617	0.000	2.349
CHELPG
AIM
ESP

	x	y	z
x	3.529	0.207	0.000
y	0.207	6.103	0.000
z	0.000	0.000	2.693

<r²>	42.996
(<r²>)^1/2	6.557

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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