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	hartrees
Energy at 0K	-139.872277
Energy at 298.15K	-139.874462
HF Energy	-139.872277
Nuclear repulsion energy	55.088934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3853	3703	144.80
2	A'	3175	3052	9.41
3	A'	1817	1746	374.15
4	A'	1349	1296	5.37
5	A'	999	960	162.90
6	A'	954	917	13.48
7	A'	645	620	82.72
8	A'	373	359	15.26
9	A"	3252	3126	0.64
10	A"	781	750	42.11
11	A"	600	576	80.72
12	A"	328	315	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.386	0.000
B2	0.039	0.003	0.000
O3	0.039	-1.314	0.000
H4	0.039	1.957	0.919
H5	0.039	1.957	-0.919
H6	-0.829	-1.726	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3830	2.6998	1.0822	1.0822	3.2303
B2	1.3830		1.3168	2.1596	2.1596	1.9343
O3	2.6998	1.3168		3.3976	3.3976	0.9609
H4	1.0822	2.1596	3.3976		1.8384	3.8936
H5	1.0822	2.1596	3.3976	1.8384		3.8936
H6	3.2303	1.9343	0.9609	3.8936	3.8936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.856
B2	C1	H5	121.856	B2	O3	H6	115.369
H4	C1	H5	116.288

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.428
2	B	0.110
3	O	-0.187
4	H	0.133
5	H	0.133
6	H	0.239

	x	y	z	Total
	-1.522	-1.787	0.000	2.347
CHELPG
AIM
ESP

	x	y	z
x	3.894	0.162	0.000
y	0.162	6.373	0.000
z	0.000	0.000	3.397

<r²>	49.404
(<r²>)^1/2	7.029

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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