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	hartrees
Energy at 0K	-3530.778796
Energy at 298.15K
HF Energy	-3529.943782
Nuclear repulsion energy	396.271634

Atom	x (Å)	y (Å)	z (Å)
C1	-0.670	-0.128	0.000
H2	-1.572	0.464	0.000
Br3	0.811	1.103	0.000
Cl4	-0.670	-1.127	1.455
Cl5	-0.670	-1.127	-1.455

	C1	H2	Br3	Cl4	Cl5
C1		1.0796	1.9256	1.7649	1.7649
H2	1.0796		2.4672	2.3373	2.3373
Br3	1.9256	2.4672		3.0465	3.0465
Cl4	1.7649	2.3373	3.0465		2.9105
Cl5	1.7649	2.3373	3.0465	2.9105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.975	H2	C1	Cl4	108.082
H2	C1	Cl5	108.082	Br3	C1	Cl4	111.209
Br3	C1	Cl5	111.209	Cl4	C1	Cl5	111.092

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: CCSD/aug-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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)