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	hartrees
Energy at 0K	-69.493972
Energy at 298.15K
HF Energy	-69.493972
Nuclear repulsion energy	83.573660

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	971	941	190.17	2.74	0.74	0.85
2	A	706	684	250.38	6.60	0.75	0.86
3	A	675	653	285.76	8.43	0.73	0.85
4	A	404	391	1.56	11.90	0.06	0.11
5	A	303	294	0.03	7.54	0.64	0.78
6	A	263	255	0.04	7.17	0.73	0.85
7	A	230	223	0.31	16.12	0.28	0.44
8	A	169	164	0.05	9.07	0.71	0.83
9	A	131	127	0.19	8.76	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.470	0.344
F2	0.520	0.686	1.738
Cl3	0.730	2.117	-0.483
Br4	1.864	-0.847	-0.150
I5	-1.601	-0.290	-0.080

	C1	F2	Cl3	Br4	I5
C1		1.4145	1.8684	2.0131	2.2024
F2	1.4145		2.6504	2.7785	2.9588
Cl3	1.8684	2.6504		3.1903	3.3740
Br4	2.0131	2.7785	3.1903		3.5097
I5	2.2024	2.9588	3.3740	3.5097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.862	F2	C1	Br4	107.018
F2	C1	I5	107.786	Cl3	C1	Br4	110.502
Cl3	C1	I5	111.699	Br4	C1	I5	112.652

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: B3LYP/CEP-31G

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	-0.471
2	F	-0.108
3	Cl	0.092
4	Br	0.199
5	I	0.289

	x	y	z	Total
	-0.854	-0.939	-1.100	1.680
CHELPG
AIM
ESP

	x	y	z
x	11.497	0.339	-0.055
y	0.339	8.513	-0.289
z	-0.055	-0.289	4.043

<r²>	149.177
(<r²>)^1/2	12.214