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	hartrees
Energy at 0K	-139.628841
Energy at 298.15K	-139.631380
HF Energy	-139.223595
Nuclear repulsion energy	54.002876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	2918	0.05
2	A₁	2060	1945	146.17
3	A₁	1405	1327	18.46
4	A₁	828	781	0.17
5	E	3174	2997	1.98
5	E	3174	2997	1.98
6	E	1517	1432	7.47
6	E	1517	1432	7.47
7	E	957	904	24.98
7	E	957	904	24.98
8	E	358	338	11.36
8	E	358	338	11.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.302
B2	0.000	0.000	0.243
O3	0.000	0.000	1.456
H4	0.000	1.026	-1.685
H5	0.888	-0.513	-1.685
H6	-0.888	-0.513	-1.685

	C1	B2	O3	H4	H5	H6
C1		1.5442	2.7579	1.0950	1.0950	1.0950
B2	1.5442		1.2137	2.1831	2.1831	2.1831
O3	2.7579	1.2137		3.3041	3.3041	3.3041
H4	1.0950	2.1831	3.3041		1.7768	1.7768
H5	1.0950	2.1831	3.3041	1.7768		1.7768
H6	1.0950	2.1831	3.3041	1.7768	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.467
B2	C1	H5	110.467	B2	C1	H6	110.467
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: CCSD/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: CCSD/6-31G*

States and conformations

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