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	hartrees
Energy at 0K	-139.624204
Energy at 298.15K	-139.626752
HF Energy	-139.223842
Nuclear repulsion energy	54.073364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	2933	0.01
2	A₁	2083	1971	157.72
3	A₁	1407	1331	19.25
4	A₁	831	787	0.21
5	E	3185	3014	1.52
5	E	3185	3014	1.52
6	E	1519	1437	7.70
6	E	1519	1437	7.70
7	E	961	909	26.00
7	E	961	909	26.00
8	E	361	342	11.74
8	E	361	342	11.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.300
B2	0.000	0.000	0.243
O3	0.000	0.000	1.454
H4	0.000	1.025	-1.683
H5	0.888	-0.513	-1.683
H6	-0.888	-0.513	-1.683

	C1	B2	O3	H4	H5	H6
C1		1.5434	2.7542	1.0946	1.0946	1.0946
B2	1.5434		1.2107	2.1821	2.1821	2.1821
O3	2.7542	1.2107		3.3002	3.3002	3.3002
H4	1.0946	2.1821	3.3002		1.7762	1.7762
H5	1.0946	2.1821	3.3002	1.7762		1.7762
H6	1.0946	2.1821	3.3002	1.7762	1.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.465
B2	C1	H5	110.465	B2	C1	H6	110.465
H4	C1	H5	108.460	H4	C1	H6	108.460
H5	C1	H6	108.460

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

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

using model chemistry: CCD/6-31G*

States and conformations

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