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	hartrees
Energy at 0K	-139.936311
Energy at 298.15K	-139.938517
HF Energy	-139.936311
Nuclear repulsion energy	55.090218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3915	3915	141.12
2	A'	3191	3191	6.78
3	A'	1837	1837	347.67
4	A'	1365	1365	3.95
5	A'	1015	1015	165.63
6	A'	959	959	15.35
7	A'	661	661	84.94
8	A'	383	383	16.15
9	A"	3271	3271	0.04
10	A"	790	790	45.22
11	A"	606	606	80.50
12	A"	329	329	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.385	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.315	0.000
H4	0.040	1.958	0.920
H5	0.040	1.958	-0.920
H6	-0.831	-1.718	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3830	2.7000	1.0834	1.0834	3.2229
B2	1.3830		1.3170	2.1609	2.1609	1.9278
O3	2.7000	1.3170		3.3993	3.3993	0.9591
H4	1.0834	2.1609	3.3993		1.8397	3.8877
H5	1.0834	2.1609	3.3993	1.8397		3.8877
H6	3.2229	1.9278	0.9591	3.8877	3.8877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.895
B2	C1	H5	121.895	B2	O3	H6	114.863
H4	C1	H5	116.209

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.563
2	B	0.163
3	O	-0.236
4	H	0.144
5	H	0.144
6	H	0.348

	x	y	z	Total
	-1.530	-1.765	0.000	2.336
CHELPG
AIM
ESP

	x	y	z
x	2.856	0.197	0.000
y	0.197	5.892	0.000
z	0.000	0.000	2.992

<r²>	49.014
(<r²>)^1/2	7.001

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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