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	hartrees
Energy at 0K	-177.389924
Energy at 298.15K
HF Energy	-177.389924
Nuclear repulsion energy	112.611611

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	973	935	211.93	1.63	0.74	0.85
2	A	690	663	230.71	4.95	0.72	0.84
3	A	661	635	251.16	4.82	0.75	0.85
4	A	401	386	2.00	10.36	0.08	0.15
5	A	302	290	0.18	7.04	0.65	0.79
6	A	264	254	0.01	6.46	0.74	0.85
7	A	230	221	0.23	14.39	0.26	0.42
8	A	172	166	0.02	7.84	0.70	0.83
9	A	134	129	0.18	8.38	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.414	0.475	0.351
F2	0.514	0.705	1.737
Cl3	0.710	2.103	-0.492
Br4	1.864	-0.838	-0.148
I5	-1.593	-0.294	-0.079

	C1	F2	Cl3	Br4	I5
C1		1.4080	1.8569	2.0188	2.1919
F2	1.4080		2.6381	2.7850	2.9551
Cl3	1.8569	2.6381		3.1783	3.3498
Br4	2.0188	2.7850	3.1783		3.4993
I5	2.1919	2.9551	3.3498	3.4993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	107.006	F2	C1	Br4	107.382
F2	C1	I5	108.373	Cl3	C1	Br4	110.106
Cl3	C1	I5	111.386	Br4	C1	I5	112.346

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: B3LYP/LANL2DZ

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	-0.263
2	F	-0.153
3	Cl	0.050
4	Br	0.109
5	I	0.257

	x	y	z	Total
	-0.883	-0.888	-0.932	1.561
CHELPG
AIM
ESP

	x	y	z
x	11.107	0.266	0.026
y	0.266	7.616	-0.157
z	0.026	-0.157	3.476

<r²>	157.139
(<r²>)^1/2	12.536