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	hartrees
Energy at 0K	-2909.973906
Energy at 298.15K
HF Energy	-2908.743341
Nuclear repulsion energy	367.197741

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.808
Br2	0.000	0.000	1.119
F3	0.000	1.247	-1.271
F4	1.080	-0.624	-1.271
F5	-1.080	-0.624	-1.271

	C1	Br2	F3	F4	F5
C1		1.9272	1.3300	1.3300	1.3300
Br2	1.9272		2.6952	2.6952	2.6952
F3	1.3300	2.6952		2.1600	2.1600
F4	1.3300	2.6952	2.1600		2.1600
F5	1.3300	2.6952	2.1600	2.1600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.336	Br2	C1	F4	110.336
Br2	C1	F5	110.336	F3	C1	F4	108.593
F3	C1	F5	108.593	F4	C1	F5	108.593

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: MP4/Def2TZVPP

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 CF3Br (Bromotrifluoromethane)

using model chemistry: MP4/Def2TZVPP

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)