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	hartrees
Energy at 0K	-139.923675
Energy at 298.15K
HF Energy	-139.782668
Nuclear repulsion energy	54.096754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	3094	0.10
2	A₁	2003	2003	169.93
3	A₁	1370	1370	16.47
4	A₁	820	820	0.08
5	E	3181	3181	0.87
5	E	3181	3181	0.87
6	E	1486	1486	7.80
6	E	1486	1486	7.80
7	E	933	933	24.92
7	E	933	933	24.92
8	E	359	359	12.86
8	E	359	359	12.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.298
B2	0.000	0.000	0.239
O3	0.000	0.000	1.455
H4	0.000	1.022	-1.680
H5	0.885	-0.511	-1.680
H6	-0.885	-0.511	-1.680

	C1	B2	O3	H4	H5	H6
C1		1.5369	2.7529	1.0908	1.0908	1.0908
B2	1.5369		1.2160	2.1736	2.1736	2.1736
O3	2.7529	1.2160		3.2967	3.2967	3.2967
H4	1.0908	2.1736	3.2967		1.7701	1.7701
H5	1.0908	2.1736	3.2967	1.7701		1.7701
H6	1.0908	2.1736	3.2967	1.7701	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.466
B2	C1	H5	110.466	B2	C1	H6	110.466
H4	C1	H5	108.458	H4	C1	H6	108.458
H5	C1	H6	108.458

All results from a given calculation for CH₃BO (Borane, methyloxo-)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH3BO (Borane, methyloxo-)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₃BO (Borane, methyloxo-)