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	hartrees
Energy at 0K	-3071.487131
Energy at 298.15K
HF Energy	-3070.925477
Nuclear repulsion energy	219.105109

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.022	0.000
Br2	0.836	-0.720	0.000
Cl3	-1.760	0.941	0.000
H4	0.323	1.535	0.894
H5	0.323	1.535	-0.894

	C1	Br2	Cl3	H4	H5
C1		1.9320	1.7617	1.0805	1.0805
Br2	1.9320		3.0821	2.4795	2.4795
Cl3	1.7617	3.0821		2.3432	2.3432
H4	1.0805	2.4795	2.3432		1.7882
H5	1.0805	2.4795	2.3432	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.034	Br2	C1	H4	107.395
Br2	C1	H5	107.395	Cl3	C1	H4	108.686
Cl3	C1	H5	108.686	H4	C1	H5	111.686

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

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

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