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	hartrees
Energy at 0K	-139.732054
Energy at 298.15K	-139.734625
HF Energy	-139.240321
Nuclear repulsion energy	54.264519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3104	2935	0.10
2	A₁	2065	1953	151.23
3	A₁	1366	1292	12.06
4	A₁	828	783	0.01
5	E	3191	3017	0.45
5	E	3191	3017	0.45
6	E	1492	1410	5.32
6	E	1492	1410	5.32
7	E	929	878	23.84
7	E	929	878	23.84
8	E	375	354	11.69
8	E	375	354	11.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.296
B2	0.000	0.000	0.244
O3	0.000	0.000	1.449
H4	0.000	1.023	-1.677
H5	0.886	-0.511	-1.677
H6	-0.886	-0.511	-1.677

	C1	B2	O3	H4	H5	H6
C1		1.5399	2.7449	1.0913	1.0913	1.0913
B2	1.5399		1.2050	2.1758	2.1758	2.1758
O3	2.7449	1.2050		3.2885	3.2885	3.2885
H4	1.0913	2.1758	3.2885		1.7716	1.7716
H5	1.0913	2.1758	3.2885	1.7716		1.7716
H6	1.0913	2.1758	3.2885	1.7716	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.405
B2	C1	H5	110.405	B2	C1	H6	110.405
H4	C1	H5	108.521	H4	C1	H6	108.521
H5	C1	H6	108.521

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

using model chemistry: CCSD/6-31G(2df,p)

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(2df,p)

States and conformations

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