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	hartrees
Energy at 0K	-7517.539040
Energy at 298.15K
HF Energy	-7517.147178
Nuclear repulsion energy	410.618180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3190	2.48
2	A	1352	1352	17.39
3	A	1218	1218	107.34
4	A	1095	1095	207.57
5	A	764	764	215.43
6	A	584	584	53.08
7	A	418	418	0.58
8	A	270	270	0.14
9	A	194	194	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.008	0.475	0.417
H2	1.078	0.611	1.489
F3	1.284	1.637	-0.210
Cl4	2.185	-0.756	-0.071
I5	-1.053	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0837	1.3491	1.7714	2.1834
H2	1.0837		1.9961	2.3508	2.7053
F3	1.3491	1.9961		2.5605	2.9190
Cl4	1.7714	2.3508	2.5605		3.3044
I5	2.1834	2.7053	2.9190	3.3044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.793	H2	C1	Cl4	108.437
H2	C1	I5	106.918	F3	C1	Cl4	109.537
F3	C1	I5	109.161	Cl4	C1	I5	112.934

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: B2PLYP=FULL/6-311G**

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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