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	hartrees
Energy at 0K	-139.717693
Energy at 298.15K
HF Energy	-139.195287
Nuclear repulsion energy	56.321050

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.364
C2	0.000	0.000	0.197
O3	0.000	0.000	1.323
H4	0.000	1.171	-1.648
H5	1.014	-0.585	-1.648
H6	-1.014	-0.585	-1.648

	B1	C2	O3	H4	H5	H6
B1		1.5615	2.6869	1.2049	1.2049	1.2049
C2	1.5615		1.1254	2.1854	2.1854	2.1854
O3	2.6869	1.1254		3.1931	3.1931	3.1931
H4	1.2049	2.1854	3.1931		2.0282	2.0282
H5	1.2049	2.1854	3.1931	2.0282		2.0282
H6	1.2049	2.1854	3.1931	2.0282	2.0282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	C2	O3	180.000	C2	B1	H4	103.618
C2	B1	H5	103.618	C2	B1	H6	103.618
H4	B1	H5	114.636	H4	B1	H6	114.636
H5	B1	H6	114.636

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

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

States and conformations

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