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	hartrees
Energy at 0K	-139.861105
Energy at 298.15K
HF Energy	-139.287653
Nuclear repulsion energy	54.190234

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	1.452
H4	0.000	1.022	-1.678
H5	0.885	-0.511	-1.678
H6	-0.885	-0.511	-1.678

	C1	B2	O3	H4	H5	H6
C1		1.5394	2.7494	1.0899	1.0899	1.0899
B2	1.5394		1.2100	2.1741	2.1741	2.1741
O3	2.7494	1.2100		3.2917	3.2917	3.2917
H4	1.0899	2.1741	3.2917		1.7695	1.7695
H5	1.0899	2.1741	3.2917	1.7695		1.7695
H6	1.0899	2.1741	3.2917	1.7695	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.391
B2	C1	H5	110.391	B2	C1	H6	110.391
H4	C1	H5	108.536	H4	C1	H6	108.536
H5	C1	H6	108.536

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

using model chemistry: CCSD(T)/aug-cc-pVQZ

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(T)/aug-cc-pVQZ

States and conformations

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