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	hartrees
Energy at 0K	-5283.365953
Energy at 298.15K
HF Energy	-5282.656655
Nuclear repulsion energy	479.057125

Atom	x (Å)	y (Å)	z (Å)
C1	-0.106	0.786	0.000
H2	-1.009	1.411	0.000
F3	1.009	1.595	0.000
Br4	-0.106	-0.293	1.611
Br5	-0.106	-0.293	-1.611

	C1	H2	F3	Br4	Br5
C1		1.0980	1.3775	1.9391	1.9391
H2	1.0980		2.0264	2.5128	2.5128
F3	1.3775	2.0264		2.7207	2.7207
Br4	1.9391	2.5128	2.7207		3.2224
Br5	1.9391	2.5128	2.7207	3.2224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.369	H2	C1	Br4	108.461
H2	C1	Br5	108.461	F3	C1	Br4	109.062
F3	C1	Br5	109.062	Br4	C1	Br5	112.385

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: MP4=FULL/aug-cc-pVDZ

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 CHBr2F (dibromofluoromethane)

using model chemistry: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)