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	hartrees
Energy at 0K	-139.776598
Energy at 298.15K	-139.779166
HF Energy	-139.274990
Nuclear repulsion energy	54.236452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3086	2924	0.24
2	A₁	2050	1942	175.09
3	A₁	1373	1301	11.06
4	A₁	825	782	0.08
5	E	3172	3005	1.82
5	E	3172	3005	1.82
6	E	1488	1409	6.56
6	E	1488	1409	6.57
7	E	939	890	20.12
7	E	939	890	20.12
8	E	369	349	14.21
8	E	369	349	14.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.298
B2	0.000	0.000	0.242
O3	0.000	0.000	1.450
H4	0.000	1.022	-1.675
H5	0.885	-0.511	-1.675
H6	-0.885	-0.511	-1.675

	C1	B2	O3	H4	H5	H6
C1		1.5401	2.7476	1.0896	1.0896	1.0896
B2	1.5401		1.2075	2.1727	2.1727	2.1727
O3	2.7476	1.2075		3.2877	3.2877	3.2877
H4	1.0896	2.1727	3.2877		1.7707	1.7707
H5	1.0896	2.1727	3.2877	1.7707		1.7707
H6	1.0896	2.1727	3.2877	1.7707	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.247
B2	C1	H5	110.247	B2	C1	H6	110.247
H4	C1	H5	108.684	H4	C1	H6	108.684
H5	C1	H6	108.684

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

using model chemistry: CCSD=FULL/TZVP

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=FULL/TZVP

States and conformations

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