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	hartrees
Energy at 0K	-1308.042416
Energy at 298.15K
HF Energy	-1307.003890
Nuclear repulsion energy	490.899725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	1094	1094	144.30	3.68	0.35	0.51
2	A	815	815	180.40	3.93	0.49	0.66
3	A	752	752	197.60	7.65	0.62	0.76
4	A	462	462	0.47	7.15	0.03	0.05
5	A	337	337	0.03	2.72	0.42	0.59
6	A	286	286	0.18	2.38	0.71	0.83
7	A	254	254	0.24	6.40	0.16	0.28
8	A	183	183	0.03	2.54	0.62	0.77
9	A	140	140	0.09	2.37	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.432	0.473	0.349
F2	0.525	0.688	1.672
Cl3	0.720	1.996	-0.486
Br4	1.771	-0.820	-0.143
I5	-1.538	-0.269	-0.073

	C1	F2	Cl3	Br4	I5
C1		1.3437	1.7605	1.9253	2.1473
F2	1.3437		2.5309	2.6687	2.8669
Cl3	1.7605	2.5309		3.0255	3.2248
Br4	1.9253	2.6687	3.0255		3.3554
I5	2.1473	2.8669	3.2248	3.3554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.487	F2	C1	Br4	108.124
F2	C1	I5	108.203	Cl3	C1	Br4	110.262
Cl3	C1	I5	110.831	Br4	C1	I5	110.839

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: MP2/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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