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	hartrees
Energy at 0K	-3071.788915
Energy at 298.15K
HF Energy	-3071.030284
Nuclear repulsion energy	219.555929

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.018	0.000
Br2	0.840	-0.710	0.000
Cl3	-1.767	0.921	0.000
H4	0.315	1.536	0.897
H5	0.315	1.536	-0.897

	C1	Br2	Cl3	H4	H5
C1		1.9209	1.7692	1.0830	1.0830
Br2	1.9209		3.0745	2.4745	2.4745
Cl3	1.7692	3.0745		2.3491	2.3491
H4	1.0830	2.4745	2.3491		1.7944
H5	1.0830	2.4745	2.3491	1.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.787	Br2	C1	H4	107.635
Br2	C1	H5	107.635	Cl3	C1	H4	108.484
Cl3	C1	H5	108.484	H4	C1	H5	111.871

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

using model chemistry: CCSD(T)/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(T)/aug-cc-pVQZ

States and conformations

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