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	hartrees
Energy at 0K	-139.771686
Energy at 298.15K
HF Energy	-139.195562
Nuclear repulsion energy	56.577224

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.356
C2	0.000	0.000	0.196
O3	0.000	0.000	1.317
H4	0.000	1.166	-1.642
H5	1.009	-0.583	-1.642
H6	-1.009	-0.583	-1.642

	B1	C2	O3	H4	H5	H6
B1		1.5519	2.6729	1.2002	1.2002	1.2002
C2	1.5519		1.1210	2.1765	2.1765	2.1765
O3	2.6729	1.1210		3.1804	3.1804	3.1804
H4	1.2002	2.1765	3.1804		2.0188	2.0188
H5	1.2002	2.1765	3.1804	2.0188		2.0188
H6	1.2002	2.1765	3.1804	2.0188	2.0188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.798
C2	B1	H5	103.798	C2	B1	H6	103.798
H4	B1	H5	114.499	H4	B1	H6	114.499
H5	B1	H6	114.499

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

using model chemistry: CCSD=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: CCSD=FULL/daug-cc-pVTZ

States and conformations

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