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	hartrees
Energy at 0K	-3989.910443
Energy at 298.15K
HF Energy	-3988.854651
Nuclear repulsion energy	617.261551

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.412
Br2	0.000	0.000	1.533
Cl3	0.000	1.675	-1.003
Cl4	1.450	-0.837	-1.003
Cl5	-1.450	-0.837	-1.003

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9444	1.7763	1.7763	1.7763
Br2	1.9444		3.0393	3.0393	3.0393
Cl3	1.7763	3.0393		2.9008	2.9008
Cl4	1.7763	3.0393	2.9008		2.9008
Cl5	1.7763	3.0393	2.9008	2.9008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.460	Br2	C1	Cl4	109.460
Br2	C1	Cl5	109.460	Cl3	C1	Cl4	109.482
Cl3	C1	Cl5	109.482	Cl4	C1	Cl5	109.482

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)

using model chemistry: QCISD(T)/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 CBrCl3 (Methane, bromotrichloro-)

using model chemistry: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)