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	hartrees
Energy at 0K	-137.317375
Energy at 298.15K	-137.319755
HF Energy	-137.317375
Nuclear repulsion energy	55.632931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4267	3484	5.29
2	A'	3653	2983	53.83
3	A'	2154	1759	270.69
4	A'	1695	1384	0.63
5	A'	1295	1057	135.02
6	A'	1072	875	33.95
7	A'	954	779	43.84
8	A'	428	350	20.80
9	A"	3790	3095	2.48
10	A"	974	795	66.19
11	A"	747	610	64.59
12	A"	367	300	7.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.041	1.357	0.000
B2	0.041	0.015	0.000
O3	0.041	-1.301	0.000
H4	0.041	1.937	0.906
H5	0.041	1.937	-0.906
H6	-0.864	-1.685	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3421	2.6576	1.0758	1.0758	3.1741
B2	1.3421		1.3155	2.1248	2.1248	1.9262
O3	2.6576	1.3155		3.3618	3.3618	0.9838
H4	1.0758	2.1248	3.3618		1.8125	3.8419
H5	1.0758	2.1248	3.3618	1.8125		3.8419
H6	3.1741	1.9262	0.9838	3.8419	3.8419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	122.609
B2	C1	H5	122.609	B2	O3	H6	113.015
H4	C1	H5	114.782

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

using model chemistry: HF/STO-3G

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	-0.355
2	B	0.358
3	O	-0.342
4	H	0.052
5	H	0.052
6	H	0.235

	x	y	z	Total
	-1.469	-1.538	0.000	2.127
CHELPG
AIM
ESP

	x	y	z
x	0.791	0.408	0.000
y	0.408	3.937	0.000
z	0.000	0.000	1.203

<r²>	47.301
(<r²>)^1/2	6.878

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

using model chemistry: HF/STO-3G

States and conformations

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