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	hartrees
Energy at 0K	-139.942559
Energy at 298.15K	-139.944723
HF Energy	-139.942559
Nuclear repulsion energy	54.913272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3891	3704	156.82
2	A'	3201	3047	7.85
3	A'	1816	1728	424.18
4	A'	1363	1297	3.75
5	A'	976	929	185.00
6	A'	949	904	3.16
7	A'	656	625	115.26
8	A'	361	343	17.96
9	A"	3283	3125	0.61
10	A"	795	756	64.86
11	A"	597	569	100.42
12	A"	329	313	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.039	1.392	0.000
B2	0.039	0.001	0.000
O3	0.039	-1.318	0.000
H4	0.039	1.964	0.921
H5	0.039	1.964	-0.921
H6	-0.826	-1.739	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3900	2.7096	1.0843	1.0843	3.2481
B2	1.3900		1.3195	2.1675	2.1675	1.9439
O3	2.7096	1.3195		3.4084	3.4084	0.9625
H4	1.0843	2.1675	3.4084		1.8422	3.9125
H5	1.0843	2.1675	3.4084	1.8422		3.9125
H6	3.2481	1.9439	0.9625	3.9125	3.9125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.840
B2	C1	H5	121.840	B2	O3	H6	115.945
H4	C1	H5	116.320

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

using model chemistry: mPW1PW91/6-31+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	-0.591
2	B	0.518
3	O	-0.670
4	H	0.176
5	H	0.176
6	H	0.391

	x	y	z	Total
	-1.654	-1.778	0.000	2.428
CHELPG
AIM
ESP

	x	y	z
x	3.950	0.136	0.000
y	0.136	6.657	0.000
z	0.000	0.000	2.932

<r²>	49.866
(<r²>)^1/2	7.062

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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