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	hartrees
Energy at 0K	-139.161846
Energy at 298.15K	-139.164192
HF Energy	-139.161846
Nuclear repulsion energy	55.257252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4173	3774	235.27
2	A'	3316	2999	3.96
3	A'	1871	1692	551.26
4	A'	1492	1349	0.13
5	A'	1046	946	230.28
6	A'	989	894	1.91
7	A'	777	703	132.11
8	A'	406	367	19.94
9	A"	3394	3069	0.31
10	A"	874	790	75.79
11	A"	595	538	123.49
12	A"	361	326	3.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	1.387	0.000
B2	0.038	0.000	0.000
O3	0.038	-1.311	0.000
H4	0.038	1.953	0.915
H5	0.038	1.953	-0.915
H6	-0.802	-1.742	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3867	2.6975	1.0758	1.0758	3.2400
B2	1.3867		1.3108	2.1562	2.1562	1.9345
O3	2.6975	1.3108		3.3890	3.3890	0.9449
H4	1.0758	2.1562	3.3890		1.8301	3.8981
H5	1.0758	2.1562	3.3890	1.8301		3.8981
H6	3.2400	1.9345	0.9449	3.8981	3.8981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.726
B2	C1	H5	121.726	B2	O3	H6	117.177
H4	C1	H5	116.549

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

using model chemistry: HF/6-31+G**

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	-0.570
2	B	0.584
3	O	-0.733
4	H	0.159
5	H	0.159
6	H	0.401

	x	y	z	Total
	-1.678	-1.940	0.000	2.565
CHELPG
AIM
ESP

	x	y	z
x	3.954	0.146	0.000
y	0.146	6.158	0.000
z	0.000	0.000	2.733

<r²>	49.726
(<r²>)^1/2	7.052

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

using model chemistry: HF/6-31+G**

States and conformations

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