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	hartrees
Energy at 0K	-7485.509630
Energy at 298.15K
HF Energy	-7485.509630
Nuclear repulsion energy	402.657407

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	3196	3079	3.24	94.91	0.26	0.42
2	A	1326	1277	17.87	7.62	0.75	0.86
3	A	1209	1165	101.51	7.82	0.68	0.81
4	A	1134	1092	154.61	2.46	0.75	0.86
5	A	665	640	238.97	9.86	0.58	0.73
6	A	580	559	32.21	15.96	0.25	0.40
7	A	360	347	3.48	7.95	0.33	0.49
8	A	266	256	0.24	5.54	0.61	0.76
9	A	183	176	0.43	9.69	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.979	0.530	0.434
H2	1.085	0.625	1.511
F3	1.277	1.696	-0.220
Cl4	2.237	-0.777	-0.070
I5	-1.066	-0.111	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0867	1.3695	1.8824	2.1903
H2	1.0867		2.0444	2.4066	2.7398
F3	1.3695	2.0444		2.6570	2.9658
Cl4	1.8824	2.4066	2.6570		3.3699
I5	2.1903	2.7398	2.9658	3.3699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	112.170	H2	C1	Cl4	105.124
H2	C1	I5	108.721	F3	C1	Cl4	108.549
F3	C1	I5	110.721	Cl4	C1	I5	111.448

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: HSEh1PBE/3-21G

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	-0.337
2	H	0.317
3	F	-0.236
4	Cl	0.024
5	I	0.232

	x	y	z	Total
	-0.916	0.335	1.565	1.844
CHELPG
AIM
ESP

	x	y	z
x	9.224	-0.334	0.233
y	-0.334	4.440	0.414
z	0.233	0.414	3.080

<r²>	242.575
(<r²>)^1/2	15.575