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	hartrees
Energy at 0K	-139.931800
Energy at 298.15K	-139.933960
HF Energy	-139.931800
Nuclear repulsion energy	54.956592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3883	3694	117.09
2	A'	3207	3051	6.34
3	A'	1833	1744	335.80
4	A'	1371	1304	3.07
5	A'	1013	964	178.19
6	A'	955	909	9.16
7	A'	644	613	94.64
8	A'	356	338	17.15
9	A"	3289	3129	0.03
10	A"	793	755	55.10
11	A"	614	585	87.52
12	A"	323	307	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.389	0.000
B2	0.040	0.002	0.000
O3	0.040	-1.319	0.000
H4	0.040	1.960	0.921
H5	0.040	1.960	-0.921
H6	-0.838	-1.714	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3868	2.7079	1.0835	1.0835	3.2248
B2	1.3868		1.3211	2.1636	2.1636	1.9277
O3	2.7079	1.3211		3.4059	3.4059	0.9627
H4	1.0835	2.1636	3.4059		1.8414	3.8882
H5	1.0835	2.1636	3.4059	1.8414		3.8882
H6	3.2248	1.9277	0.9627	3.8882	3.8882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.815
B2	C1	H5	121.815	B2	O3	H6	114.228
H4	C1	H5	116.371

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

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

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	-0.480
2	B	0.276
3	O	-0.425
4	H	0.139
5	H	0.139
6	H	0.352

	x	y	z	Total
	-1.653	-1.658	0.000	2.341
CHELPG
AIM
ESP

	x	y	z
x	2.354	0.216	0.000
y	0.216	5.830	0.000
z	0.000	0.000	2.659

<r²>	49.137
(<r²>)^1/2	7.010

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

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

States and conformations

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