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	hartrees
Energy at 0K	-895.472056
Energy at 298.15K
HF Energy	-894.095878
Nuclear repulsion energy	246.239373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3196	3196	0.71
2	A	1359	1359	12.17
3	A	1229	1229	82.83
4	A	1126	1126	177.64
5	A	812	812	157.13
6	A	616	616	28.80
7	A	426	426	0.52
8	A	283	283	0.45
9	A	199	199	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.974	0.469	0.414
H2	1.049	0.608	1.482
F3	1.253	1.631	-0.208
Cl4	2.140	-0.750	-0.070
I5	-1.029	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0790	1.3476	1.7548	2.1271
H2	1.0790		1.9856	2.3331	2.6587
F3	1.3476	1.9856		2.5441	2.8717
Cl4	1.7548	2.3331	2.5441		3.2360
I5	2.1271	2.6587	2.8717	3.2360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.328	H2	C1	Cl4	108.467
H2	C1	I5	107.494	F3	C1	Cl4	109.479
F3	C1	I5	109.418	Cl4	C1	I5	112.590

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CCSD=FULL/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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