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	hartrees
Energy at 0K	-5643.837893
Energy at 298.15K
HF Energy	-5642.883726
Nuclear repulsion energy	581.248140

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	0.593	0.000
H2	-1.150	1.153	0.000
Cl3	1.104	1.728	0.000
Br4	-0.232	-0.487	1.582
Br5	-0.232	-0.487	-1.582

	C1	H2	Cl3	Br4	Br5
C1		1.0754	1.7536	1.9154	1.9154
H2	1.0754		2.3268	2.4565	2.4565
Cl3	1.7536	2.3268		3.0325	3.0325
Br4	1.9154	2.4565	3.0325		3.1640
Br5	1.9154	2.4565	3.0325	3.1640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.269	H2	C1	Br4	107.070
H2	C1	Br5	107.070	Cl3	C1	Br4	111.409
Cl3	C1	Br5	111.409	Br4	C1	Br5	111.370

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

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

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

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