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	hartrees
Energy at 0K	-139.749729
Energy at 298.15K
HF Energy	-139.204789
Nuclear repulsion energy	56.488917

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.360
C2	0.000	0.000	0.197
O3	0.000	0.000	1.318
H4	0.000	1.169	-1.644
H5	1.013	-0.585	-1.644
H6	-1.013	-0.585	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5569	2.6782	1.2033	1.2033	1.2033
C2	1.5569		1.1213	2.1809	2.1809	2.1809
O3	2.6782	1.1213		3.1846	3.1846	3.1846
H4	1.2033	2.1809	3.1846		2.0254	2.0254
H5	1.2033	2.1809	3.1846	2.0254		2.0254
H6	1.2033	2.1809	3.1846	2.0254	2.0254

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.648
C2	B1	H5	103.648	C2	B1	H6	103.648
H4	B1	H5	114.613	H4	B1	H6	114.613
H5	B1	H6	114.613

All results from a given calculation for BH₃CO (Borane carbonyl)

using model chemistry: CCSD/cc-pCVQZ

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 BH3CO (Borane carbonyl)

using model chemistry: CCSD/cc-pCVQZ

States and conformations

All results from a given calculation for BH₃CO (Borane carbonyl)