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	hartrees
Energy at 0K	-3530.818157
Energy at 298.15K
HF Energy	-3529.943655
Nuclear repulsion energy	395.161260

Atom	x (Å)	y (Å)	z (Å)
C1	-0.673	-0.127	0.000
H2	-1.577	0.469	0.000
Br3	0.815	1.105	0.000
Cl4	-0.673	-1.129	1.459
Cl5	-0.673	-1.129	-1.459

	C1	H2	Br3	Cl4	Cl5
C1		1.0822	1.9315	1.7701	1.7701
H2	1.0822		2.4741	2.3449	2.3449
Br3	1.9315	2.4741		3.0547	3.0547
Cl4	1.7701	2.3449	3.0547		2.9185
Cl5	1.7701	2.3449	3.0547	2.9185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.965	H2	C1	Cl4	108.165
H2	C1	Cl5	108.165	Br3	C1	Cl4	111.154
Br3	C1	Cl5	111.154	Cl4	C1	Cl5	111.056

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

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

States and conformations

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