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	hartrees
Energy at 0K	-139.797410
Energy at 298.15K
HF Energy	-139.194273
Nuclear repulsion energy	56.412025

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.356
C2	0.000	0.000	0.191
O3	0.000	0.000	1.321
H4	0.000	1.167	-1.644
H5	1.010	-0.583	-1.644
H6	-1.010	-0.583	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5463	2.6762	1.2019	1.2019	1.2019
C2	1.5463		1.1299	2.1743	2.1743	2.1743
O3	2.6762	1.1299		3.1860	3.1860	3.1860
H4	1.2019	2.1743	3.1860		2.0208	2.0208
H5	1.2019	2.1743	3.1860	2.0208		2.0208
H6	1.2019	2.1743	3.1860	2.0208	2.0208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.890
C2	B1	H5	103.890	C2	B1	H6	103.890
H4	B1	H5	114.429	H4	B1	H6	114.429
H5	B1	H6	114.429

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

using model chemistry: QCISD(T)=FULL/daug-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 BH3CO (Borane carbonyl)

using model chemistry: QCISD(T)=FULL/daug-cc-pVTZ

States and conformations

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