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	hartrees
Energy at 0K	-7482.529124
Energy at 298.15K
HF Energy	-7482.235485
Nuclear repulsion energy	398.526083

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	3224	3077	4.93	89.43	0.27	0.42
2	A	1349	1287	24.43	8.24	0.75	0.86
3	A	1228	1172	109.63	8.16	0.74	0.85
4	A	1102	1051	129.63	4.49	0.62	0.77
5	A	666	636	183.49	13.07	0.60	0.75
6	A	570	544	25.73	13.95	0.23	0.38
7	A	347	332	2.85	8.17	0.33	0.49
8	A	265	253	0.17	5.35	0.63	0.77
9	A	180	172	0.51	8.87	0.57	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.976	0.533	0.442
H2	1.093	0.635	1.515
F3	1.271	1.717	-0.221
Cl4	2.275	-0.776	-0.071
I5	-1.077	-0.115	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0845	1.3891	1.9141	2.2008
H2	1.0845		2.0534	2.4301	2.7602
F3	1.3891	2.0534		2.6922	2.9848
Cl4	1.9141	2.4301	2.6922		3.4168
I5	2.2008	2.7602	2.9848	3.4168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.638	H2	C1	Cl4	104.874
H2	C1	I5	109.570	F3	C1	Cl4	108.128
F3	C1	I5	110.445	Cl4	C1	I5	112.077

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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