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	hartrees
Energy at 0K	-139.793981
Energy at 298.15K	-139.796527
HF Energy	-139.277691
Nuclear repulsion energy	54.225388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	2895	0.00
2	A₁	2047	1927	174.95
3	A₁	1356	1276	11.00
4	A₁	822	774	0.01
5	E	3159	2973	1.06
5	E	3159	2973	1.06
6	E	1481	1394	4.64
6	E	1481	1394	4.64
7	E	927	873	22.24
7	E	927	873	22.24
8	E	361	340	13.32
8	E	361	340	13.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.298
B2	0.000	0.000	0.243
O3	0.000	0.000	1.451
H4	0.000	1.021	-1.677
H5	0.884	-0.510	-1.677
H6	-0.884	-0.510	-1.677

	C1	B2	O3	H4	H5	H6
C1		1.5411	2.7487	1.0890	1.0890	1.0890
B2	1.5411		1.2076	2.1745	2.1745	2.1745
O3	2.7487	1.2076		3.2899	3.2899	3.2899
H4	1.0890	2.1745	3.2899		1.7684	1.7684
H5	1.0890	2.1745	3.2899	1.7684		1.7684
H6	1.0890	2.1745	3.2899	1.7684	1.7684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.351
B2	C1	H5	110.351	B2	C1	H6	110.351
H4	C1	H5	108.577	H4	C1	H6	108.577
H5	C1	H6	108.577

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

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

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