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	hartrees
Energy at 0K	-3530.693505
Energy at 298.15K
HF Energy	-3529.860758
Nuclear repulsion energy	391.900220

Atom	x (Å)	y (Å)	z (Å)
C1	-0.672	-0.143	0.000
H2	-1.576	0.450	0.000
Br3	0.813	1.123	0.000
Cl4	-0.672	-1.144	1.471
Cl5	-0.672	-1.144	-1.471

	C1	H2	Br3	Cl4	Cl5
C1		1.0813	1.9509	1.7794	1.7794
H2	1.0813		2.4819	2.3500	2.3500
Br3	1.9509	2.4819		3.0834	3.0834
Cl4	1.7794	2.3500	3.0834		2.9416
Cl5	1.7794	2.3500	3.0834	2.9416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.309	H2	C1	Cl4	107.969
H2	C1	Cl5	107.969	Br3	C1	Cl4	111.417
Br3	C1	Cl5	111.417	Cl4	C1	Cl5	111.501

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

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

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