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	hartrees
Energy at 0K	-7517.372375
Energy at 298.15K
HF Energy	-7517.372375
Nuclear repulsion energy	407.541565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3081	3053	2.21
2	A	1279	1267	13.37
3	A	1145	1135	87.05
4	A	1059	1049	215.43
5	A	713	706	234.01
6	A	554	549	68.56
7	A	403	399	0.70
8	A	255	253	1.02
9	A	183	181	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.020	0.481	0.417
H2	1.084	0.610	1.502
F3	1.297	1.648	-0.212
Cl4	2.199	-0.763	-0.071
I5	-1.062	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0944	1.3535	1.7823	2.2052
H2	1.0944		2.0148	2.3676	2.7235
F3	1.3535	2.0148		2.5776	2.9428
Cl4	1.7823	2.3676	2.5776		3.3275
I5	2.2052	2.7235	2.9428	3.3275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.335	H2	C1	Cl4	108.399
H2	C1	I5	106.325	F3	C1	Cl4	109.811
F3	C1	I5	109.221	Cl4	C1	I5	112.691

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.132
2	H	0.219
3	F	-0.139
4	Cl	-0.005
5	I	0.058

	x	y	z	Total
	-0.064	0.053	1.223	1.226
CHELPG
AIM
ESP

	x	y	z
x	10.773	-0.428	0.140
y	-0.428	6.178	0.364
z	0.140	0.364	4.970

<r²>	237.365
(<r²>)^1/2	15.407