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	hartrees
Energy at 0K	-5643.696771
Energy at 298.15K
HF Energy	-5642.883748
Nuclear repulsion energy	579.496657

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.594	0.000
H2	-1.155	1.157	0.000
Cl3	1.108	1.733	0.000
Br4	-0.233	-0.488	1.587
Br5	-0.233	-0.488	-1.587

	C1	H2	Cl3	Br4	Br5
C1		1.0811	1.7595	1.9207	1.9207
H2	1.0811		2.3356	2.4653	2.4653
Cl3	1.7595	2.3356		3.0414	3.0414
Br4	1.9207	2.4653	3.0414		3.1739
Br5	1.9207	2.4653	3.0414	3.1739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.235	H2	C1	Br4	107.082
H2	C1	Br5	107.082	Cl3	C1	Br4	111.387
Cl3	C1	Br5	111.387	Br4	C1	Br5	111.425

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

using model chemistry: MP2/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 CHClBr2 (Methane, dibromochloro-)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)