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	hartrees
Energy at 0K	-8216.034150
Energy at 298.15K
HF Energy	-8214.738628
Nuclear repulsion energy	1137.783498

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.289
Cl2	0.000	0.000	2.049
Br3	0.000	1.813	-0.348
Br4	1.570	-0.906	-0.348
Br5	-1.570	-0.906	-0.348

	C1	Cl2	Br3	Br4	Br5
C1		1.7600	1.9216	1.9216	1.9216
Cl2	1.7600		3.0055	3.0055	3.0055
Br3	1.9216	3.0055		3.1400	3.1400
Br4	1.9216	3.0055	3.1400		3.1400
Br5	1.9216	3.0055	3.1400	3.1400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.365	Cl2	C1	Br4	109.365
Cl2	C1	Br5	109.365	Br3	C1	Br4	109.577
Br3	C1	Br5	109.577	Br4	C1	Br5	109.577

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: CCSD=FULL/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 CBr3Cl (tribromochloromethane)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)