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	hartrees
Energy at 0K	-7518.287998
Energy at 298.15K
HF Energy	-7518.287998
Nuclear repulsion energy	402.591570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3077	3065	2.47
2	A	1282	1277	13.98
3	A	1140	1136	96.41
4	A	1026	1022	214.80
5	A	673	670	232.67
6	A	535	533	75.14
7	A	389	387	1.19
8	A	246	245	1.67
9	A	176	176	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	1.034	0.489	0.421
H2	1.099	0.617	1.503
F3	1.312	1.661	-0.213
Cl4	2.233	-0.769	-0.071
I5	-1.077	-0.102	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0912	1.3614	1.8058	2.2348
H2	1.0912		2.0195	2.3839	2.7494
F3	1.3614	2.0195		2.6021	2.9757
Cl4	1.8058	2.3839	2.6021		3.3760
I5	2.2348	2.7494	2.9757	3.3760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.370	H2	C1	Cl4	108.204
H2	C1	I5	106.363	F3	C1	Cl4	109.685
F3	C1	I5	109.253	Cl4	C1	I5	112.910

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: BLYP/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	-0.082
2	H	0.201
3	F	-0.153
4	Cl	-0.021
5	I	0.054

	x	y	z	Total
	-0.149	0.058	1.247	1.258
CHELPG
AIM
ESP

	x	y	z
x	11.119	-0.456	0.143
y	-0.456	6.238	0.374
z	0.143	0.374	4.971

<r²>	243.016
(<r²>)^1/2	15.589