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	hartrees
Energy at 0K
Energy at 298.15K	-0.055802
HF Energy	-0.055802
Nuclear repulsion energy	97.075330

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	2931	2855	14.18	108.33	0.32	0.48
2	A	1478	1440	234.86	49.23	0.27	0.42
3	A	1097	1069	240.20	69.92	0.44	0.61
4	A	1093	1065	11.15	12.31	0.57	0.72
5	A	753	733	174.85	129.32	0.39	0.57
6	A	661	644	63.60	40.91	0.56	0.72
7	A	471	459	5.55	11.18	0.57	0.72
8	A	378	368	1.15	7.00	0.75	0.85
9	A	240	234	0.83	12.67	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.933	0.544	0.432
H2	1.006	0.753	1.518
F3	1.269	1.657	-0.238
Cl4	1.888	-0.843	-0.064
I5	-0.946	-0.087	-0.017

	C1	H2	F3	Cl4	I5
C1		1.1088	1.3420	1.7557	2.0316
H2	1.1088		1.9927	2.4148	2.6212
F3	1.3420	1.9927		2.5812	2.8274
Cl4	1.7557	2.4148	2.5812		2.9333
I5	2.0316	2.6212	2.8274	2.9333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.422	H2	C1	Cl4	112.970
H2	C1	I5	109.641	F3	C1	Cl4	112.181
F3	C1	I5	112.265	Cl4	C1	I5	101.275

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: PM3

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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