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	hartrees
Energy at 0K	-1308.186014
Energy at 298.15K
HF Energy	-1307.004189
Nuclear repulsion energy	491.126198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1136	1136	144.02
2	A	836	836	163.63
3	A	769	769	172.52
4	A	467	467	0.37
5	A	341	341	0.06
6	A	289	289	0.45
7	A	256	256	0.27
8	A	186	186	0.03
9	A	141	141	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.432	0.472	0.347
F2	0.524	0.684	1.664
Cl3	0.721	1.996	-0.482
Br4	1.774	-0.819	-0.142
I5	-1.541	-0.269	-0.073

	C1	F2	Cl3	Br4	I5
C1		1.3367	1.7591	1.9257	2.1484
F2	1.3367		2.5224	2.6618	2.8612
Cl3	1.7591	2.5224		3.0251	3.2268
Br4	1.9257	2.6618	3.0251		3.3607
I5	2.1484	2.8612	3.2268	3.3607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.360	F2	C1	Br4	107.994
F2	C1	I5	108.096	Cl3	C1	Br4	110.287
Cl3	C1	I5	110.951	Br4	C1	I5	111.040

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: CCSD=FULL/cc-pVTZ-PP

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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