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	hartrees
Energy at 0K	-139.993006
Energy at 298.15K	-139.995201
HF Energy	-139.993006
Nuclear repulsion energy	55.160413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3902	3902	158.20
2	A'	3174	3174	8.20
3	A'	1806	1806	416.15
4	A'	1360	1360	3.87
5	A'	1001	1001	171.99
6	A'	951	951	15.06
7	A'	666	666	85.83
8	A'	381	381	15.30
9	A"	3253	3253	0.32
10	A"	784	784	40.83
11	A"	587	587	82.12
12	A"	329	329	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.384	0.000
B2	0.039	0.003	0.000
O3	0.039	-1.312	0.000
H4	0.039	1.954	0.919
H5	0.039	1.954	-0.919
H6	-0.823	-1.729	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3819	2.6968	1.0808	1.0808	3.2304
B2	1.3819		1.3149	2.1568	2.1568	1.9341
O3	2.6968	1.3149		3.3931	3.3931	0.9573
H4	1.0808	2.1568	3.3931		1.8373	3.8923
H5	1.0808	2.1568	3.3931	1.8373		3.8923
H6	3.2304	1.9341	0.9573	3.8923	3.8923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.798
B2	C1	H5	121.798	B2	O3	H6	115.788
H4	C1	H5	116.405

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

using model chemistry: wB97X-D/cc-pVQZ

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	-0.378
2	B	0.376
3	O	-0.366
4	H	0.047
5	H	0.047
6	H	0.273

	x	y	z	Total
	-1.489	-1.854	0.000	2.378
CHELPG
AIM
ESP

	x	y	z
x	4.404	0.154	0.000
y	0.154	6.544	0.000
z	0.000	0.000	3.676

<r²>	49.379
(<r²>)^1/2	7.027

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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