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	hartrees
Energy at 0K	-7514.217459
Energy at 298.15K
HF Energy	-7514.217459
Nuclear repulsion energy	415.047732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3360	3052	3.01	77.17	0.26	0.42
2	A	1473	1338	26.37	5.29	0.66	0.80
3	A	1333	1211	143.27	10.13	0.38	0.55
4	A	1219	1107	236.76	7.14	0.50	0.67
5	A	848	771	228.68	11.04	0.75	0.86
6	A	639	581	46.39	26.84	0.22	0.36
7	A	451	410	0.93	4.91	0.29	0.45
8	A	298	271	0.21	5.64	0.39	0.56
9	A	211	192	0.02	6.84	0.47	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.992	0.473	0.412
H2	1.071	0.614	1.472
F3	1.265	1.614	-0.209
Cl4	2.168	-0.744	-0.070
I5	-1.043	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0724	1.3273	1.7598	2.1579
H2	1.0724		1.9664	2.3296	2.6824
F3	1.3273	1.9664		2.5287	2.8820
Cl4	1.7598	2.3296	2.5287		3.2755
I5	2.1579	2.6824	2.8820	3.2755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.601	H2	C1	Cl4	108.225
H2	C1	I5	107.462	F3	C1	Cl4	109.193
F3	C1	I5	109.238	Cl4	C1	I5	113.067

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: HF/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	0.055
2	H	0.181
3	F	-0.253
4	Cl	-0.052
5	I	0.068

	x	y	z	Total
	-0.345	-0.133	1.423	1.471
CHELPG
AIM
ESP

	x	y	z
x	9.618	-0.371	0.160
y	-0.371	5.548	0.347
z	0.160	0.347	4.656

<r²>	230.704
(<r²>)^1/2	15.189