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	hartrees
Energy at 0K	-10042.611868
Energy at 298.15K
HF Energy	-10042.091513
Nuclear repulsion energy	902.805550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1136	1057	87.48
2	A	803	747	168.21
3	A	783	728	190.19
4	A	448	416	0.65
5	A	325	303	0.64
6	A	276	257	1.30
7	A	257	239	0.55
8	A	188	175	0.03
9	A	142	132	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.449	0.476	0.343
F2	0.544	0.711	1.702
Cl3	0.766	2.006	-0.501
Br4	1.780	-0.843	-0.142
I5	-1.564	-0.261	-0.074

	C1	F2	Cl3	Br4	I5
C1		1.3830	1.7762	1.9356	2.1841
F2	1.3830		2.5656	2.7102	2.9228
Cl3	1.7762	2.5656		3.0459	3.2794
Br4	1.9356	2.7102	3.0459		3.3953
I5	2.1841	2.9228	3.2794	3.3953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	107.957	F2	C1	Br4	108.359
F2	C1	I5	107.928	Cl3	C1	Br4	110.219
Cl3	C1	I5	111.388	Br4	C1	I5	110.867

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: CID/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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