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	hartrees
Energy at 0K	-139.837390
Energy at 298.15K	-139.839539
HF Energy	-139.705200
Nuclear repulsion energy	54.679433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3799	3638	143.19
2	A'	3190	3055	7.00
3	A'	1803	1726	321.69
4	A'	1340	1284	2.71
5	A'	1038	994	147.36
6	A'	936	897	13.94
7	A'	625	598	72.19
8	A'	352	337	13.91
9	A"	3278	3140	0.29
10	A"	790	756	38.54
11	A"	618	591	80.27
12	A"	315	302	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	1.396	0.000
B2	0.041	0.001	0.000
O3	0.041	-1.326	0.000
H4	0.041	1.967	0.930
H5	0.041	1.967	-0.930
H6	-0.852	-1.703	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3952	2.7217	1.0917	1.0917	3.2243
B2	1.3952		1.3265	2.1754	2.1754	1.9228
O3	2.7217	1.3265		3.4218	3.4218	0.9688
H4	1.0917	2.1754	3.4218		1.8607	3.8894
H5	1.0917	2.1754	3.4218	1.8607		3.8894
H6	3.2243	1.9228	0.9688	3.8894	3.8894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.549
B2	C1	H5	121.549	B2	O3	H6	112.878
H4	C1	H5	116.902

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

using model chemistry: B2PLYP/cc-pVDZ

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	-0.185
2	B	-0.046
3	O	-0.045
4	H	0.045
5	H	0.045
6	H	0.187

	x	y	z	Total
	-1.613	-1.757	0.000	2.385
CHELPG
AIM
ESP

	x	y	z
x	2.975	0.205	0.000
y	0.205	6.009	0.000
z	0.000	0.000	2.897

<r²>	49.832
(<r²>)^1/2	7.059

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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