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	hartrees
Energy at 0K	-139.453592
Energy at 298.15K	-139.456118
HF Energy	-139.165711
Nuclear repulsion energy	53.548913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3036	2913	1.04
2	A₁	1978	1898	135.99
3	A₁	1438	1380	27.33
4	A₁	814	781	0.42
5	E	3116	2990	5.49
5	E	3116	2990	5.49
6	E	1521	1459	9.29
6	E	1521	1459	9.29
7	E	985	945	26.40
7	E	985	945	26.40
8	E	345	331	12.32
8	E	345	331	12.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.310
B2	0.000	0.000	0.241
O3	0.000	0.000	1.470
H4	0.000	1.030	-1.701
H5	0.892	-0.515	-1.701
H6	-0.892	-0.515	-1.701

	C1	B2	O3	H4	H5	H6
C1		1.5514	2.7804	1.1016	1.1016	1.1016
B2	1.5514		1.2290	2.1980	2.1980	2.1980
O3	2.7804	1.2290		3.3338	3.3338	3.3338
H4	1.1016	2.1980	3.3338		1.7842	1.7842
H5	1.1016	2.1980	3.3338	1.7842		1.7842
H6	1.1016	2.1980	3.3338	1.7842	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.750
B2	C1	H5	110.750	B2	C1	H6	110.750
H4	C1	H5	108.163	H4	C1	H6	108.163
H5	C1	H6	108.163

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-)