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	hartrees
Energy at 0K	-10046.366852
Energy at 298.15K
HF Energy	-10046.366852
Nuclear repulsion energy	884.674420

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	1125	1084	150.12	2.70	0.56	0.72
2	A	722	696	252.25	5.62	0.65	0.79
3	A	687	662	258.55	8.00	0.64	0.78
4	A	394	380	4.76	11.36	0.05	0.10
5	A	311	299	0.36	5.55	0.71	0.83
6	A	272	262	0.09	5.28	0.75	0.86
7	A	234	225	0.09	11.92	0.26	0.41
8	A	171	165	0.25	6.50	0.68	0.81
9	A	134	129	0.02	6.24	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.430	0.438	0.380
F2	0.530	0.674	1.723
Cl3	0.741	2.083	-0.483
Br4	1.842	-0.839	-0.153
I5	-1.593	-0.278	-0.080

	C1	F2	Cl3	Br4	I5
C1		1.3667	1.8836	1.9764	2.1950
F2	1.3667		2.6260	2.7434	2.9430
Cl3	1.8836	2.6260		3.1397	3.3441
Br4	1.9764	2.7434	3.1397		3.4810
I5	2.1950	2.9430	3.3441	3.4810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.708	F2	C1	Br4	108.925
F2	C1	I5	109.227	Cl3	C1	Br4	108.835
Cl3	C1	I5	109.922	Br4	C1	I5	113.024

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.380
2	F	-0.218
3	Cl	0.083
4	Br	0.215
5	I	0.300

	x	y	z	Total
	-0.580	-1.181	-0.337	1.358
CHELPG
AIM
ESP

	x	y	z
x	10.705	0.298	-0.143
y	0.298	8.050	-0.352
z	-0.143	-0.352	4.235

<r²>	449.992
(<r²>)^1/2	21.213