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	hartrees
Energy at 0K	-139.720101
Energy at 298.15K
HF Energy	-139.194923
Nuclear repulsion energy	56.257167

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.365
C2	0.000	0.000	0.196
O3	0.000	0.000	1.324
H4	0.000	1.171	-1.649
H5	1.014	-0.586	-1.649
H6	-1.014	-0.586	-1.649

	B1	C2	O3	H4	H5	H6
B1		1.5612	2.6892	1.2051	1.2051	1.2051
C2	1.5612		1.1281	2.1859	2.1859	2.1859
O3	2.6892	1.1281		3.1961	3.1961	3.1961
H4	1.2051	2.1859	3.1961		2.0283	2.0283
H5	1.2051	2.1859	3.1961	2.0283		2.0283
H6	1.2051	2.1859	3.1961	2.0283	2.0283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.659
C2	B1	H5	103.659	C2	B1	H6	103.659
H4	B1	H5	114.604	H4	B1	H6	114.604
H5	B1	H6	114.604

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

using model chemistry: QCISD/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/daug-cc-pVTZ

States and conformations

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