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	hartrees
Energy at 0K	-139.991547
Energy at 298.15K	-139.993658
HF Energy	-139.991547
Nuclear repulsion energy	54.628341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3641	3629	96.73
2	A'	3080	3069	6.37
3	A'	1743	1737	356.25
4	A'	1326	1321	4.08
5	A'	974	970	138.15
6	A'	918	915	23.26
7	A'	619	617	71.68
8	A'	342	341	13.36
9	A"	3143	3132	0.08
10	A"	774	771	27.53
11	A"	591	589	76.73
12	A"	323	321	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.396	0.000
B2	0.040	0.005	0.000
O3	0.040	-1.325	0.000
H4	0.040	1.975	0.921
H5	0.040	1.975	-0.921
H6	-0.835	-1.753	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3908	2.7210	1.0877	1.0877	3.2680
B2	1.3908		1.3302	2.1741	2.1741	1.9635
O3	2.7210	1.3302		3.4257	3.4257	0.9736
H4	1.0877	2.1741	3.4257		1.8422	3.9378
H5	1.0877	2.1741	3.4257	1.8422		3.9378
H6	3.2680	1.9635	0.9736	3.9378	3.9378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.133
B2	C1	H5	122.133	B2	O3	H6	116.062
H4	C1	H5	115.734

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

using model chemistry: BLYP/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	-0.665
2	B	0.062
3	O	-0.172
4	H	0.292
5	H	0.292
6	H	0.192

	x	y	z	Total
	-1.443	-1.762	0.000	2.278
CHELPG
AIM
ESP

	x	y	z
x	5.200	0.177	0.000
y	0.177	7.355	0.000
z	0.000	0.000	4.253

<r²>	50.420
(<r²>)^1/2	7.101

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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