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	hartrees
Energy at 0K	-7485.698668
Energy at 298.15K
HF Energy	-7485.698668
Nuclear repulsion energy	409.737916

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	3177	3050	2.22	80.89	0.28	0.44
2	A	1335	1282	8.81	7.45	0.75	0.86
3	A	1235	1186	82.52	6.66	0.45	0.62
4	A	1103	1058	120.27	2.16	0.70	0.83
5	A	717	688	211.33	5.20	0.74	0.85
6	A	596	572	43.99	16.25	0.16	0.28
7	A	390	374	1.06	4.88	0.31	0.47
8	A	259	248	0.16	4.46	0.43	0.60
9	A	192	184	0.05	6.22	0.47	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	1.005	0.478	0.430
H2	1.078	0.590	1.510
F3	1.295	1.666	-0.213
Cl4	2.167	-0.774	-0.074
I5	-1.049	-0.100	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0878	1.3813	1.7809	2.1798
H2	1.0878		2.0421	2.3563	2.7079
F3	1.3813	2.0421		2.5942	2.9413
Cl4	1.7809	2.3563	2.5942		3.2862
I5	2.1798	2.7079	2.9413	3.2862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.043	H2	C1	Cl4	107.997
H2	C1	I5	107.140	F3	C1	Cl4	109.598
F3	C1	I5	109.309	Cl4	C1	I5	111.737

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	-0.169
2	H	0.300
3	F	-0.252
4	Cl	0.028
5	I	0.094

	x	y	z	Total
	-0.392	-0.115	1.318	1.380
CHELPG
AIM
ESP

	x	y	z
x	9.653	-0.384	0.121
y	-0.384	5.917	0.261
z	0.121	0.261	4.968

<r²>	233.987
(<r²>)^1/2	15.297