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	hartrees
Energy at 0K	-139.857740
Energy at 298.15K
HF Energy	-139.287486
Nuclear repulsion energy	54.213832

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.297
B2	0.000	0.000	0.242
O3	0.000	0.000	1.451
H4	0.000	1.021	-1.677
H5	0.885	-0.511	-1.677
H6	-0.885	-0.511	-1.677

	C1	B2	O3	H4	H5	H6
C1		1.5389	2.7481	1.0896	1.0896	1.0896
B2	1.5389		1.2093	2.1733	2.1733	2.1733
O3	2.7481	1.2093		3.2901	3.2901	3.2901
H4	1.0896	2.1733	3.2901		1.7691	1.7691
H5	1.0896	2.1733	3.2901	1.7691		1.7691
H6	1.0896	2.1733	3.2901	1.7691	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	B2	O3	180.000	B2	C1	H4	110.379
B2	C1	H5	110.379	B2	C1	H6	110.379
H4	C1	H5	108.548	H4	C1	H6	108.548
H5	C1	H6	108.548

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

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

States and conformations

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