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	hartrees
Energy at 0K	-139.823584
Energy at 298.15K	-139.825684
HF Energy	-139.823584
Nuclear repulsion energy	54.670584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3648	3610	65.13
2	A'	3088	3056	4.07
3	A'	1775	1757	299.20
4	A'	1323	1309	7.86
5	A'	998	988	156.53
6	A'	924	915	11.49
7	A'	586	579	95.58
8	A'	341	337	17.07
9	A"	3160	3127	0.05
10	A"	774	766	48.39
11	A"	626	620	90.96
12	A"	322	318	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.394	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.324	0.000
H4	0.040	1.975	0.925
H5	0.040	1.975	-0.925
H6	-0.843	-1.734	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3915	2.7175	1.0925	1.0925	3.2498
B2	1.3915		1.3260	2.1789	2.1789	1.9477
O3	2.7175	1.3260		3.4260	3.4260	0.9738
H4	1.0925	2.1789	3.4260		1.8499	3.9231
H5	1.0925	2.1789	3.4260	1.8499		3.9231
H6	3.2498	1.9477	0.9738	3.9231	3.9231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.151
B2	C1	H5	122.151	B2	O3	H6	114.897
H4	C1	H5	115.698

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

using model chemistry: PBEPBE/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	-0.795
2	B	0.393
3	O	-0.440
4	H	0.212
5	H	0.212
6	H	0.418

	x	y	z	Total
	-1.710	-1.716	0.000	2.423
CHELPG
AIM
ESP

	x	y	z
x	3.049	0.199	0.000
y	0.199	6.394	0.000
z	0.000	0.000	2.940

<r²>	49.887
(<r²>)^1/2	7.063

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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