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	hartrees
Energy at 0K	-139.775711
Energy at 298.15K
HF Energy	-139.192766
Nuclear repulsion energy	56.551788

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.351
C2	0.000	0.000	0.190
O3	0.000	0.000	1.318
H4	0.000	1.162	-1.644
H5	1.006	-0.581	-1.644
H6	-1.006	-0.581	-1.644

	B1	C2	O3	H4	H5	H6
B1		1.5409	2.6684	1.1985	1.1985	1.1985
C2	1.5409		1.1275	2.1716	2.1716	2.1716
O3	2.6684	1.1275		3.1818	3.1818	3.1818
H4	1.1985	2.1716	3.1818		2.0125	2.0125
H5	1.1985	2.1716	3.1818	2.0125		2.0125
H6	1.1985	2.1716	3.1818	2.0125	2.0125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	104.184
C2	B1	H5	104.184	C2	B1	H6	104.184
H4	B1	H5	114.201	H4	B1	H6	114.201
H5	B1	H6	114.201

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

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

States and conformations

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