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	hartrees
Energy at 0K	-5643.765570
Energy at 298.15K
HF Energy	-5642.883667
Nuclear repulsion energy	575.866552

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	0.596	0.000
H2	-1.158	1.158	0.000
Cl3	1.113	1.744	0.000
Br4	-0.234	-0.491	1.598
Br5	-0.234	-0.491	-1.598

	C1	H2	Cl3	Br4	Br5
C1		1.0816	1.7697	1.9326	1.9326
H2	1.0816		2.3452	2.4751	2.4751
Cl3	1.7697	2.3452		3.0598	3.0598
Br4	1.9326	2.4751	3.0598		3.1962
Br5	1.9326	2.4751	3.0598	3.1962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.239	H2	C1	Br4	106.990
H2	C1	Br5	106.990	Cl3	C1	Br4	111.398
Cl3	C1	Br5	111.398	Br4	C1	Br5	111.569

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

using model chemistry: QCISD(T)/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 CHClBr2 (Methane, dibromochloro-)

using model chemistry: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)