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	hartrees
Energy at 0K	-10047.945435
Energy at 298.15K
HF Energy	-10047.945435
Nuclear repulsion energy	896.337749

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	1076	1035	105.32	3.63	0.52	0.68
2	A	707	681	204.27	4.65	0.64	0.78
3	A	693	667	245.47	11.13	0.58	0.74
4	A	418	402	2.15	10.07	0.04	0.08
5	A	306	295	0.05	3.64	0.57	0.73
6	A	259	250	0.12	3.57	0.75	0.86
7	A	238	229	0.16	8.97	0.19	0.32
8	A	173	166	0.02	4.22	0.61	0.75
9	A	131	126	0.07	3.61	0.57	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.454	0.476	0.359
F2	0.544	0.710	1.717
Cl3	0.775	2.026	-0.504
Br4	1.789	-0.851	-0.144
I5	-1.574	-0.262	-0.075

	C1	F2	Cl3	Br4	I5
C1		1.3804	1.8025	1.9492	2.2019
F2	1.3804		2.5915	2.7301	2.9401
Cl3	1.8025	2.5915		3.0722	3.3067
Br4	1.9492	2.7301	3.0722		3.4152
I5	2.2019	2.9401	3.3067	3.4152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.285	F2	C1	Br4	108.965
F2	C1	I5	108.122	Cl3	C1	Br4	109.887
Cl3	C1	I5	110.943	Br4	C1	I5	110.569

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: B3LYP/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	-0.018
2	F	-0.234
3	Cl	0.059
4	Br	0.049
5	I	0.144

	x	y	z	Total
	-0.303	-0.663	-0.532	0.902
CHELPG
AIM
ESP

	x	y	z
x	11.875	0.287	-0.163
y	0.287	9.539	-0.351
z	-0.163	-0.351	6.568

<r²>	437.343
(<r²>)^1/2	20.913