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	hartrees
Energy at 0K	-10042.003269
Energy at 298.15K
HF Energy	-10041.690789
Nuclear repulsion energy	879.459467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1129	1051	119.40
2	A	755	704	173.49
3	A	724	675	186.40
4	A	392	365	2.70
5	A	313	292	0.15
6	A	277	258	1.16
7	A	237	221	0.35
8	A	175	163	0.41
9	A	137	127	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.435	0.364
F2	0.521	0.665	1.721
Cl3	0.743	2.104	-0.474
Br4	1.860	-0.841	-0.152
I5	-1.603	-0.282	-0.081

	C1	F2	Cl3	Br4	I5
C1		1.3793	1.8948	1.9905	2.1951
F2	1.3793		2.6338	2.7513	2.9425
Cl3	1.8948	2.6338		3.1664	3.3694
Br4	1.9905	2.7513	3.1664		3.5094
I5	2.1951	2.9425	3.3694	3.5094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.040	F2	C1	Br4	108.085
F2	C1	I5	108.657	Cl3	C1	Br4	109.141
Cl3	C1	I5	110.728	Br4	C1	I5	113.860

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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