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	hartrees
Energy at 0K	-139.688547
Energy at 298.15K
HF Energy	-139.205788
Nuclear repulsion energy	56.760387

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.358
C2	0.000	0.000	0.201
O3	0.000	0.000	1.312
H4	0.000	1.164	-1.639
H5	1.008	-0.582	-1.639
H6	-1.008	-0.582	-1.639

	B1	C2	O3	H4	H5	H6
B1		1.5599	2.6709	1.1974	1.1974	1.1974
C2	1.5599		1.1110	2.1774	2.1774	2.1774
O3	2.6709	1.1110		3.1724	3.1724	3.1724
H4	1.1974	2.1774	3.1724		2.0163	2.0163
H5	1.1974	2.1774	3.1724	2.0163		2.0163
H6	1.1974	2.1774	3.1724	2.0163	2.0163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.535
C2	B1	H5	103.535	C2	B1	H6	103.535
H4	B1	H5	114.698	H4	B1	H6	114.698
H5	B1	H6	114.698

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

using model chemistry: CID/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: CID/cc-pCVQZ

States and conformations

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