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	hartrees
Energy at 0K	-55.977029
Energy at 298.15K
HF Energy	-55.730330
Nuclear repulsion energy	57.472373

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	3201	3093	9.61	110.25	0.22	0.36
2	A	1276	1233	26.29	12.97	0.71	0.83
3	A	1234	1192	91.00	11.16	0.74	0.85
4	A	935	903	160.03	4.70	0.57	0.73
5	A	725	700	159.83	10.19	0.50	0.66
6	A	576	557	34.25	15.31	0.33	0.50
7	A	370	358	1.53	8.00	0.43	0.60
8	A	260	252	1.03	6.14	0.64	0.78
9	A	190	184	0.10	11.57	0.61	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.976	0.471	0.449
H2	1.081	0.645	1.533
F3	1.269	1.728	-0.216
Cl4	2.264	-0.769	-0.075
I5	-1.072	-0.112	-0.019

	C1	H2	F3	Cl4	I5
C1		1.1021	1.4517	1.8629	2.1811
H2	1.1021		2.0650	2.4461	2.7605
F3	1.4517	2.0650		2.6913	2.9843
Cl4	1.8629	2.4461	2.6913		3.4006
I5	2.1811	2.7605	2.9843	3.4006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	107.122	H2	C1	Cl4	108.431
H2	C1	I5	110.052	F3	C1	Cl4	107.935
F3	C1	I5	108.806	Cl4	C1	I5	114.241

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: MP2/CEP-31G

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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