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	hartrees
Energy at 0K	-7522.201931
Energy at 298.15K
HF Energy	-7522.201931
Nuclear repulsion energy	406.018603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3104	3060	3.97
2	A	1299	1281	15.13
3	A	1159	1143	96.77
4	A	1055	1040	228.86
5	A	695	685	239.99
6	A	546	538	78.67
7	A	402	396	1.10
8	A	252	249	1.84
9	A	182	180	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.031	0.484	0.416
H2	1.091	0.613	1.497
F3	1.308	1.648	-0.212
Cl4	2.207	-0.766	-0.071
I5	-1.067	-0.100	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0895	1.3510	1.7844	2.2205
H2	1.0895		2.0090	2.3673	2.7306
F3	1.3510	2.0090		2.5795	2.9554
Cl4	1.7844	2.3673	2.5795		3.3417
I5	2.2205	2.7306	2.9554	3.3417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.352	H2	C1	Cl4	108.495
H2	C1	I5	106.064	F3	C1	Cl4	109.945
F3	C1	I5	109.255	Cl4	C1	I5	112.659

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: B97D3/6-311G**

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	-0.070
2	H	0.207
3	F	-0.157
4	Cl	-0.020
5	I	0.040

	x	y	z	Total
	-0.005	0.058	1.251	1.253
CHELPG
AIM
ESP

	x	y	z
x	10.833	-0.421	0.148
y	-0.421	6.128	0.363
z	0.148	0.363	4.911

<r²>	238.863
(<r²>)^1/2	15.455