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	hartrees
Energy at 0K	-7482.875396
Energy at 298.15K
HF Energy	-7482.415970
Nuclear repulsion energy	406.709225

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	3203	3047	2.24	75.20	0.28	0.44
2	A	1363	1297	12.43	7.61	0.75	0.85
3	A	1263	1202	103.33	6.40	0.52	0.68
4	A	1086	1033	103.35	3.15	0.67	0.80
5	A	725	690	191.17	5.72	0.74	0.85
6	A	596	567	48.65	15.33	0.18	0.30
7	A	390	371	1.16	4.59	0.31	0.47
8	A	258	246	0.20	4.49	0.44	0.61
9	A	195	185	0.05	5.72	0.48	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	1.018	0.476	0.437
H2	1.089	0.593	1.514
F3	1.310	1.676	-0.214
Cl4	2.180	-0.780	-0.075
I5	-1.057	-0.100	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0860	1.3963	1.7862	2.2010
H2	1.0860		2.0518	2.3667	2.7266
F3	1.3963	2.0518		2.6093	2.9659
Cl4	1.7862	2.3667	2.6093		3.3086
I5	2.2010	2.7266	2.9659	3.3086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.879	H2	C1	Cl4	108.502
H2	C1	I5	107.156	F3	C1	Cl4	109.539
F3	C1	I5	109.016	Cl4	C1	I5	111.736

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: MP2/3-21G*

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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