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	hartrees
Energy at 0K	-1308.065114
Energy at 298.15K
HF Energy	-1307.004072
Nuclear repulsion energy	489.999864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1131	1079	144.53
2	A	831	793	165.26
3	A	769	734	174.51
4	A	464	443	0.32
5	A	339	323	0.05
6	A	287	274	0.44
7	A	255	243	0.28
8	A	184	176	0.03
9	A	140	134	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.431	0.472	0.347
F2	0.524	0.684	1.667
Cl3	0.722	2.002	-0.482
Br4	1.779	-0.821	-0.143
I5	-1.544	-0.270	-0.074

	C1	F2	Cl3	Br4	I5
C1		1.3396	1.7648	1.9304	2.1512
F2	1.3396		2.5282	2.6673	2.8661
Cl3	1.7648	2.5282		3.0332	3.2344
Br4	1.9304	2.6673	3.0332		3.3687
I5	2.1512	2.8661	3.2344	3.3687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.277	F2	C1	Br4	107.947
F2	C1	I5	108.118	Cl3	C1	Br4	110.263
Cl3	C1	I5	110.985	Br4	C1	I5	111.132

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: CCSD/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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