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	hartrees
Energy at 0K	-3071.757060
Energy at 298.15K
HF Energy	-3071.030356
Nuclear repulsion energy	220.020907

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.015	0.000
Br2	0.837	-0.710	0.000
Cl3	-1.761	0.924	0.000
H4	0.318	1.532	0.894
H5	0.318	1.532	-0.894

	C1	Br2	Cl3	H4	H5
C1		1.9176	1.7631	1.0805	1.0805
Br2	1.9176		3.0687	2.4690	2.4690
Cl3	1.7631	3.0687		2.3434	2.3434
H4	1.0805	2.4690	2.3434		1.7875
H5	1.0805	2.4690	2.3434	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.901	Br2	C1	H4	107.573
Br2	C1	H5	107.573	Cl3	C1	H4	108.606
Cl3	C1	H5	108.606	H4	C1	H5	111.623

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

using model chemistry: CCSD/aug-cc-pVQZ

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 CH2BrCl (Methane, bromochloro-)

using model chemistry: CCSD/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)