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	hartrees
Energy at 0K	-139.209493
Energy at 298.15K	-139.211837
HF Energy	-139.209493
Nuclear repulsion energy	55.407088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4135	3741	224.44
2	A'	3288	2975	4.87
3	A'	1864	1686	520.38
4	A'	1483	1342	0.53
5	A'	1061	960	208.29
6	A'	990	895	5.44
7	A'	762	689	100.21
8	A'	418	378	15.85
9	A"	3363	3042	0.16
10	A"	857	775	43.96
11	A"	586	530	102.06
12	A"	360	326	2.83

Atom	x (Å)	y (Å)	z (Å)
C1	-1.379	0.107	0.000
B2	0.000	0.026	0.000
O3	1.307	-0.022	0.000
H4	-1.942	0.143	0.914
H5	-1.942	0.143	-0.914
H6	1.706	-0.877	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3818	2.6893	1.0736	1.0736	3.2380
B2	1.3818		1.3077	2.1494	2.1494	1.9295
O3	2.6893	1.3077		3.3789	3.3789	0.9427
H4	1.0736	2.1494	3.3789		1.8275	3.8960
H5	1.0736	2.1494	3.3789	1.8275		3.8960
H6	3.2380	1.9295	0.9427	3.8960	3.8960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	178.716	B2	C1	H4	121.671
B2	C1	H5	121.671	B2	O3	H6	117.125
H4	C1	H5	116.656

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

using model chemistry: HF/daug-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	-1.581
2	B	-0.482
3	O	-0.448
4	H	1.005
5	H	1.005
6	H	0.502

	x	y	z	Total
	1.909	-1.590	0.000	2.484
CHELPG
AIM
ESP

	x	y	z
x	6.262	-0.249	0.000
y	-0.249	4.801	0.000
z	0.000	0.000	3.813

<r²>	49.400
(<r²>)^1/2	7.028

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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