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	hartrees
Energy at 0K	-25.613561
Energy at 298.15K	-25.615916
HF Energy	-25.613561
Nuclear repulsion energy	29.159682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4114	3716	188.77
2	A'	3301	2983	1.84
3	A'	1852	1673	511.33
4	A'	1497	1353	0.17
5	A'	1089	984	237.63
6	A'	977	882	5.72
7	A'	764	690	115.00
8	A'	408	369	19.76
9	A"	3381	3055	2.26
10	A"	883	797	67.81
11	A"	610	551	122.81
12	A"	360	325	3.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.389	0.000
B2	0.039	0.000	0.000
O3	0.039	-1.315	0.000
H4	0.039	1.957	0.916
H5	0.039	1.957	-0.916
H6	-0.817	-1.725	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3883	2.7041	1.0782	1.0782	3.2295
B2	1.3883		1.3159	2.1606	2.1606	1.9264
O3	2.7041	1.3159		3.3985	3.3985	0.9491
H4	1.0782	2.1606	3.3985		1.8322	3.8901
H5	1.0782	2.1606	3.3985	1.8322		3.8901
H6	3.2295	1.9264	0.9491	3.8901	3.8901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.825
B2	C1	H5	121.825	B2	O3	H6	115.584
H4	C1	H5	116.350

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

using model chemistry: HF/CEP-121G*

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	-0.539
2	B	0.235
3	O	-0.584
4	H	0.202
5	H	0.202
6	H	0.484

	x	y	z	Total
	-1.752	-1.831	0.000	2.534
CHELPG
AIM
ESP

	x	y	z
x	3.476	0.164	0.000
y	0.164	5.849	0.000
z	0.000	0.000	2.689

<r²>	42.310
(<r²>)^1/2	6.505

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

using model chemistry: HF/CEP-121G*

States and conformations

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