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	hartrees
Energy at 0K	-892.911265
Energy at 298.15K
HF Energy	-892.098042
Nuclear repulsion energy	245.534033

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	3185	3185	0.54	74.36	0.22	0.36
2	A	1340	1340	11.09	3.49	0.64	0.78
3	A	1214	1214	83.24	4.29	0.26	0.42
4	A	1107	1107	177.26	2.59	0.52	0.68
5	A	800	800	171.72	4.26	0.74	0.85
6	A	616	616	36.12	13.63	0.13	0.24
7	A	422	422	0.46	3.63	0.24	0.39
8	A	280	280	0.13	3.74	0.37	0.54
9	A	198	198	0.02	4.24	0.43	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.982	0.473	0.416
H2	1.054	0.610	1.488
F3	1.262	1.636	-0.209
Cl4	2.141	-0.756	-0.071
I5	-1.032	-0.100	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0833	1.3498	1.7578	2.1384
H2	1.0833		1.9945	2.3400	2.6683
F3	1.3498	1.9945		2.5517	2.8837
Cl4	1.7578	2.3400	2.5517		3.2408
I5	2.1384	2.6683	2.8837	3.2408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.634	H2	C1	Cl4	108.563
H2	C1	I5	107.252	F3	C1	Cl4	109.696
F3	C1	I5	109.440	Cl4	C1	I5	112.200

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: MP2/cc-pVTZ-PP

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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