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	hartrees
Energy at 0K	-139.823588
Energy at 298.15K	-139.825690
HF Energy	-139.823588
Nuclear repulsion energy	54.670717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3646	3608	65.04
2	A'	3087	3055	4.09
3	A'	1775	1757	299.24
4	A'	1323	1309	7.85
5	A'	998	987	156.66
6	A'	924	915	11.39
7	A'	587	581	95.59
8	A'	342	338	17.01
9	A"	3159	3126	0.05
10	A"	774	766	48.21
11	A"	625	619	91.21
12	A"	322	319	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	2.7174	1.0925	1.0925	3.2501
B2	1.3915		1.3260	2.1789	2.1789	1.9480
O3	2.7174	1.3260		3.4260	3.4260	0.9738
H4	1.0925	2.1789	3.4260		1.8499	3.9234
H5	1.0925	2.1789	3.4260	1.8499		3.9234
H6	3.2501	1.9480	0.9738	3.9234	3.9234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.150
B2	C1	H5	122.150	B2	O3	H6	114.923
H4	C1	H5	115.701

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

using model chemistry: PBEPBEultrafine/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	-1.717	0.000	2.423
CHELPG
AIM
ESP

	x	y	z
x	3.049	0.199	0.000
y	0.199	6.395	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: PBEPBEultrafine/6-311G*

States and conformations

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