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	hartrees
Energy at 0K	-139.744436
Energy at 298.15K
HF Energy	-139.205123
Nuclear repulsion energy	56.553239

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.359
C2	0.000	0.000	0.198
O3	0.000	0.000	1.317
H4	0.000	1.169	-1.643
H5	1.012	-0.585	-1.643
H6	-1.012	-0.585	-1.643

	B1	C2	O3	H4	H5	H6
B1		1.5577	2.6761	1.2029	1.2029	1.2029
C2	1.5577		1.1185	2.1808	2.1808	2.1808
O3	2.6761	1.1185		3.1820	3.1820	3.1820
H4	1.2029	2.1808	3.1820		2.0249	2.0249
H5	1.2029	2.1808	3.1820	2.0249		2.0249
H6	1.2029	2.1808	3.1820	2.0249	2.0249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.625
C2	B1	H5	103.625	C2	B1	H6	103.625
H4	B1	H5	114.631	H4	B1	H6	114.631
H5	B1	H6	114.631

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

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

States and conformations

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