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	hartrees
Energy at 0K	-7485.261461
Energy at 298.15K
HF Energy	-7485.156449
Nuclear repulsion energy	399.405789

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	3212	3057	4.30	95.11	0.26	0.42
2	A	1335	1271	22.87	8.02	0.75	0.86
3	A	1209	1151	114.11	8.19	0.69	0.81
4	A	1111	1058	146.00	3.40	0.71	0.83
5	A	648	617	221.89	12.38	0.61	0.76
6	A	567	540	28.18	16.70	0.23	0.37
7	A	348	331	3.76	9.19	0.31	0.47
8	A	262	249	0.20	5.99	0.61	0.76
9	A	178	170	0.46	9.99	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.979	0.537	0.439
H2	1.092	0.633	1.512
F3	1.274	1.710	-0.222
Cl4	2.266	-0.777	-0.070
I5	-1.075	-0.114	-0.018

	C1	H2	F3	Cl4	I5
C1		1.0832	1.3778	1.9085	2.2026
H2	1.0832		2.0487	2.4226	2.7557
F3	1.3778	2.0487		2.6821	2.9809
Cl4	1.9085	2.4226	2.6821		3.4063
I5	2.2026	2.7557	2.9809	3.4063

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: B2PLYP=FULL/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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