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	hartrees
Energy at 0K	-895.001628
Energy at 298.15K
HF Energy	-894.096090
Nuclear repulsion energy	247.640424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3307	3307	0.48
2	A	1417	1417	14.91
3	A	1285	1285	93.42
4	A	1187	1187	193.86
5	A	848	848	171.71
6	A	643	643	30.31
7	A	443	443	0.62
8	A	296	296	0.60
9	A	208	208	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.970	0.467	0.411
H2	1.045	0.606	1.472
F3	1.245	1.618	-0.207
Cl4	2.132	-0.743	-0.070
I5	-1.025	-0.101	-0.017

	C1	H2	F3	Cl4	I5
C1		1.0726	1.3342	1.7458	2.1178
H2	1.0726		1.9702	2.3193	2.6452
F3	1.3342	1.9702		2.5258	2.8536
Cl4	1.7458	2.3193	2.5258		3.2226
I5	2.1178	2.6452	2.8536	3.2226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.407	H2	C1	Cl4	108.371
H2	C1	I5	107.439	F3	C1	Cl4	109.460
F3	C1	I5	109.411	Cl4	C1	I5	112.687

All results from a given calculation for CHFClI (fluorochloroiodomethane)

using model chemistry: CID/Def2TZVPP

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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