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	hartrees
Energy at 0K	-3467.273247
Energy at 298.15K
HF Energy	-3465.909286
Nuclear repulsion energy	593.865688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1121	1121	143.71
2	A	831	831	162.83
3	A	768	768	171.81
4	A	465	465	0.29
5	A	339	339	0.07
6	A	287	287	0.48
7	A	255	255	0.30
8	A	185	185	0.03
9	A	140	140	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.474	0.345
F2	0.516	0.688	1.667
Cl3	0.709	2.001	-0.483
Br4	1.780	-0.816	-0.142
I5	-1.539	-0.274	-0.074

	C1	F2	Cl3	Br4	I5
C1		1.3418	1.7603	1.9328	2.1425
F2	1.3418		2.5259	2.6703	2.8593
Cl3	1.7603	2.5259		3.0330	3.2236
Br4	1.9328	2.6703	3.0330		3.3634
I5	2.1425	2.8593	3.2236	3.3634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.269	F2	C1	Br4	107.902
F2	C1	I5	108.086	Cl3	C1	Br4	110.334
Cl3	C1	I5	110.992	Br4	C1	I5	111.135

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: CCSD/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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