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	hartrees
Energy at 0K	-139.975549
Energy at 298.15K	-139.977762
HF Energy	-139.975549
Nuclear repulsion energy	55.107987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3867	3696	179.49
2	A'	3181	3040	13.41
3	A'	1816	1736	441.45
4	A'	1358	1297	2.82
5	A'	990	947	180.76
6	A'	959	916	9.22
7	A'	678	648	83.19
8	A'	384	367	16.11
9	A"	3260	3115	1.75
10	A"	781	746	42.41
11	A"	583	557	84.89
12	A"	336	321	1.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.385	0.000
B2	0.039	0.004	0.000
O3	0.039	-1.313	0.000
H4	0.039	1.954	0.919
H5	0.039	1.954	-0.919
H6	-0.823	-1.738	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3807	2.6981	1.0808	1.0808	3.2399
B2	1.3807		1.3174	2.1554	2.1554	1.9441
O3	2.6981	1.3174		3.3939	3.3939	0.9616
H4	1.0808	2.1554	3.3939		1.8377	3.9012
H5	1.0808	2.1554	3.3939	1.8377		3.9012
H6	3.2399	1.9441	0.9616	3.9012	3.9012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.770
B2	C1	H5	121.770	B2	O3	H6	116.221
H4	C1	H5	116.459

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

using model chemistry: M06-2X/aug-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	-0.780
2	B	0.090
3	O	-0.250
4	H	0.335
5	H	0.335
6	H	0.272

	x	y	z	Total
	-1.482	-1.798	0.000	2.331
CHELPG
AIM
ESP

	x	y	z
x	4.748	0.171	0.000
y	0.171	6.686	0.000
z	0.000	0.000	3.949

<r²>	49.587
(<r²>)^1/2	7.042

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

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

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