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	hartrees
Energy at 0K	-893.018035
Energy at 298.15K
HF Energy	-892.098499
Nuclear repulsion energy	245.808193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3240	3240	0.49
2	A	1377	1377	12.98
3	A	1237	1237	82.53
4	A	1159	1159	180.08
5	A	813	813	160.04
6	A	616	616	30.19
7	A	428	428	0.58
8	A	284	284	0.35
9	A	199	199	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.983	0.474	0.413
H2	1.055	0.608	1.476
F3	1.259	1.627	-0.208
Cl4	2.148	-0.750	-0.070
I5	-1.034	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0740	1.3388	1.7571	2.1409
H2	1.0740		1.9792	2.3304	2.6634
F3	1.3388	1.9792		2.5416	2.8774
Cl4	1.7571	2.3304	2.5416		3.2479
I5	2.1409	2.6634	2.8774	3.2479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.742	H2	C1	Cl4	108.374
H2	C1	I5	107.158	F3	C1	Cl4	109.623
F3	C1	I5	109.395	Cl4	C1	I5	112.491

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: MP3=FULL/cc-pVTZ-PP

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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