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	hartrees
Energy at 0K	-9988.654586
Energy at 298.15K
HF Energy	-9988.654586
Nuclear repulsion energy	874.621534

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	1263	1154	132.47	1.07	0.74	0.85
2	A	752	687	234.73	3.03	0.29	0.45
3	A	703	642	254.27	4.66	0.65	0.79
4	A	433	396	8.86	7.81	0.02	0.04
5	A	327	299	1.31	3.79	0.75	0.85
6	A	280	256	2.18	4.19	0.74	0.85
7	A	229	209	0.96	7.98	0.26	0.41
8	A	164	150	0.57	4.71	0.66	0.79
9	A	134	123	0.13	4.62	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.458	0.430	0.409
F2	0.567	0.685	1.752
Cl3	0.762	2.103	-0.498
Br4	1.848	-0.856	-0.160
I5	-1.612	-0.274	-0.079

	C1	F2	Cl3	Br4	I5
C1		1.3712	1.9266	1.9773	2.2405
F2	1.3712		2.6659	2.7696	3.0033
Cl3	1.9266	2.6659		3.1699	3.3857
Br4	1.9773	2.7696	3.1699		3.5096
I5	2.2405	3.0033	3.3857	3.5096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.665	F2	C1	Br4	110.294
F2	C1	I5	110.180	Cl3	C1	Br4	108.575
Cl3	C1	I5	108.447	Br4	C1	I5	112.478

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: PBEPBE/STO-3G

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	0.020
2	F	0.021
3	Cl	-0.154
4	Br	0.060
5	I	0.052

	x	y	z	Total
	0.165	-1.140	1.314	1.747
CHELPG
AIM
ESP

	x	y	z
x	7.193	0.335	0.046
y	0.335	4.804	-0.186
z	0.046	-0.186	2.185

<r²>	455.784
(<r²>)^1/2	21.349