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	hartrees
Energy at 0K	-608.749790
Energy at 298.15K
HF Energy	-608.460635
Nuclear repulsion energy	128.858788

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	3210	3099	6.65	103.53	0.22	0.36
2	A	1282	1238	28.64	9.68	0.71	0.83
3	A	1232	1190	77.41	6.13	0.73	0.84
4	A	939	907	166.31	3.31	0.57	0.73
5	A	700	675	149.42	8.82	0.52	0.69
6	A	570	550	28.85	14.62	0.25	0.40
7	A	363	350	1.27	7.20	0.40	0.57
8	A	260	251	0.90	5.68	0.62	0.77
9	A	190	183	0.09	10.21	0.60	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.978	0.478	0.450
H2	1.082	0.642	1.526
F3	1.276	1.727	-0.216
Cl4	2.261	-0.772	-0.075
I5	-1.073	-0.112	-0.019

	C1	H2	F3	Cl4	I5
C1		1.0939	1.4468	1.8663	2.1853
H2	1.0939		2.0620	2.4399	2.7568
F3	1.4468	2.0620		2.6900	2.9899
Cl4	1.8663	2.4399	2.6900		3.3994
I5	2.1853	2.7568	2.9899	3.3994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	107.698	H2	C1	Cl4	108.173
H2	C1	I5	109.910	F3	C1	Cl4	107.904
F3	C1	I5	109.119	Cl4	C1	I5	113.844

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: MP2/SDD

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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