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	hartrees
Energy at 0K	-7482.547334
Energy at 298.15K
HF Energy	-7482.235508
Nuclear repulsion energy	398.642682

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	3225	3079	4.91	89.32	0.27	0.42
2	A	1349	1288	24.46	8.24	0.75	0.86
3	A	1227	1172	109.14	8.16	0.74	0.85
4	A	1102	1052	129.29	4.49	0.62	0.77
5	A	667	636	182.94	13.10	0.60	0.75
6	A	570	544	25.46	13.95	0.23	0.38
7	A	347	331	2.85	8.18	0.33	0.49
8	A	265	253	0.16	5.33	0.63	0.77
9	A	180	172	0.52	8.85	0.57	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.975	0.533	0.442
H2	1.092	0.636	1.515
F3	1.270	1.717	-0.221
Cl4	2.275	-0.776	-0.071
I5	-1.076	-0.115	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0843	1.3890	1.9146	2.1994
H2	1.0843		2.0532	2.4301	2.7593
F3	1.3890	2.0532		2.6923	2.9836
Cl4	1.9146	2.4301	2.6923		3.4159
I5	2.1994	2.7593	2.9836	3.4159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.634	H2	C1	Cl4	104.843
H2	C1	I5	109.609	F3	C1	Cl4	108.115
F3	C1	I5	110.455	Cl4	C1	I5	112.074

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: MP2=FULL/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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