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	hartrees
Energy at 0K	-139.983905
Energy at 298.15K	-139.986046
HF Energy	-139.983905
Nuclear repulsion energy	54.686349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3792	3650	124.84
2	A'	3174	3055	4.03
3	A'	1786	1719	391.60
4	A'	1374	1322	2.48
5	A'	976	939	165.28
6	A'	934	899	14.03
7	A'	645	621	104.43
8	A'	344	332	16.95
9	A"	3252	3130	0.00
10	A"	799	769	54.36
11	A"	608	586	98.52
12	A"	325	313	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	1.397	0.000
B2	0.040	0.003	0.000
O3	0.040	-1.324	0.000
H4	0.040	1.971	0.922
H5	0.040	1.971	-0.922
H6	-0.833	-1.745	0.000

	C1	B2	O3	H4	H5	H6
C1		1.3945	2.7211	1.0857	1.0857	3.2608
B2	1.3945		1.3267	2.1735	2.1735	1.9532
O3	2.7211	1.3267		3.4216	3.4216	0.9688
H4	1.0857	2.1735	3.4216		1.8432	3.9266
H5	1.0857	2.1735	3.4216	1.8432		3.9266
H6	3.2608	1.9532	0.9688	3.9266	3.9266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	121.916
B2	C1	H5	121.916	B2	O3	H6	115.735
H4	C1	H5	116.169

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

using model chemistry: TPSSh/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	-0.564
2	B	0.515
3	O	-0.668
4	H	0.165
5	H	0.165
6	H	0.386

	x	y	z	Total
	-1.645	-1.750	0.000	2.402
CHELPG
AIM
ESP

	x	y	z
x	4.056	0.144	0.000
y	0.144	6.851	0.000
z	0.000	0.000	2.991

<r²>	50.212
(<r²>)^1/2	7.086

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

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

States and conformations

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