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	hartrees
Energy at 0K	-69.496721
Energy at 298.15K
HF Energy	-69.496721
Nuclear repulsion energy	83.618621

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	965	941	194.12	2.38	0.72	0.83
2	A	705	687	247.32	6.10	0.75	0.86
3	A	671	654	279.03	7.84	0.74	0.85
4	A	403	393	1.51	11.97	0.06	0.11
5	A	301	294	0.03	7.14	0.64	0.78
6	A	262	255	0.06	7.04	0.73	0.84
7	A	230	224	0.27	15.44	0.28	0.44
8	A	169	165	0.03	8.50	0.71	0.83
9	A	131	127	0.19	8.53	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.471	0.342
F2	0.520	0.687	1.736
Cl3	0.729	2.115	-0.483
Br4	1.863	-0.847	-0.150
I5	-1.600	-0.289	-0.080

	C1	F2	Cl3	Br4	I5
C1		1.4148	1.8644	2.0127	2.2024
F2	1.4148		2.6474	2.7774	2.9578
Cl3	1.8644	2.6474		3.1887	3.3723
Br4	2.0127	2.7774	3.1887		3.5081
I5	2.2024	2.9578	3.3723	3.5081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.873	F2	C1	Br4	106.963
F2	C1	I5	107.716	Cl3	C1	Br4	110.603
Cl3	C1	I5	111.769	Br4	C1	I5	112.588

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: B3LYP/CEP-121G

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	-0.539
2	F	-0.128
3	Cl	0.135
4	Br	0.223
5	I	0.308

	x	y	z	Total
	-0.847	-0.917	-1.089	1.656
CHELPG
AIM
ESP

	x	y	z
x	11.764	0.310	-0.039
y	0.310	8.652	-0.213
z	-0.039	-0.213	4.320

<r²>	149.032
(<r²>)^1/2	12.208