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	hartrees
Energy at 0K	-7490.411263
Energy at 298.15K
HF Energy	-7490.411263
Nuclear repulsion energy	403.477124

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	3098	3098	5.44	87.86	0.29	0.45
2	A	1297	1297	9.34	7.73	0.75	0.86
3	A	1188	1188	86.84	5.55	0.50	0.66
4	A	1053	1053	131.38	1.29	0.70	0.82
5	A	633	633	219.73	3.76	0.60	0.75
6	A	556	556	71.94	14.06	0.17	0.30
7	A	367	367	3.33	6.07	0.28	0.44
8	A	245	245	0.36	4.96	0.44	0.61
9	A	181	181	0.01	7.85	0.44	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	1.022	0.493	0.431
H2	1.094	0.597	1.516
F3	1.315	1.689	-0.214
Cl4	2.203	-0.786	-0.074
I5	-1.066	-0.102	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0922	1.3897	1.8124	2.2178
H2	1.0922		2.0581	2.3807	2.7402
F3	1.3897	2.0581		2.6328	2.9858
Cl4	1.8124	2.3807	2.6328		3.3405
I5	2.2178	2.7402	2.9858	3.3405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.484	H2	C1	Cl4	107.499
H2	C1	I5	106.762	F3	C1	Cl4	109.911
F3	C1	I5	109.574	Cl4	C1	I5	111.571

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: B97D3/3-21G*

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	-0.140
2	H	0.282
3	F	-0.228
4	Cl	0.010
5	I	0.076

	x	y	z	Total
	-0.305	0.064	1.286	1.323
CHELPG
AIM
ESP

	x	y	z
x	10.251	-0.407	0.125
y	-0.407	6.115	0.271
z	0.125	0.271	5.001

<r²>	240.204
(<r²>)^1/2	15.499