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	hartrees
Energy at 0K	-895.199992
Energy at 298.15K
HF Energy	-894.095635
Nuclear repulsion energy	246.279850

Atom	x (Å)	y (Å)	z (Å)
C1	0.976	0.469	0.416
H2	1.046	0.608	1.487
F3	1.256	1.635	-0.209
Cl4	2.132	-0.754	-0.071
I5	-1.027	-0.100	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0826	1.3519	1.7526	2.1271
H2	1.0826		1.9939	2.3368	2.6580
F3	1.3519	1.9939		2.5487	2.8746
Cl4	1.7526	2.3368	2.5487		3.2271
I5	2.1271	2.6580	2.8746	3.2271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.478	H2	C1	Cl4	108.711
H2	C1	I5	107.287	F3	C1	Cl4	109.689
F3	C1	I5	109.406	Cl4	C1	I5	112.209

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: MP2/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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