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	hartrees
Energy at 0K	-10048.048699
Energy at 298.15K
HF Energy	-10048.048699
Nuclear repulsion energy	904.759332

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	1094	1037	101.24	4.77	0.46	0.63
2	A	763	723	179.88	5.66	0.69	0.81
3	A	753	714	209.84	12.47	0.59	0.74
4	A	437	414	1.11	9.61	0.04	0.07
5	A	317	300	0.13	3.37	0.54	0.70
6	A	269	255	0.69	3.19	0.75	0.85
7	A	249	236	0.35	7.68	0.20	0.34
8	A	180	171	0.03	3.50	0.63	0.77
9	A	137	130	0.07	2.95	0.59	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.472	0.357
F2	0.542	0.711	1.712
Cl3	0.761	2.007	-0.505
Br4	1.771	-0.843	-0.144
I5	-1.556	-0.261	-0.074

	C1	F2	Cl3	Br4	I5
C1		1.3794	1.7887	1.9335	2.1739
F2	1.3794		2.5777	2.7145	2.9222
Cl3	1.7887	2.5777		3.0448	3.2708
Br4	1.9335	2.7145	3.0448		3.3778
I5	2.1739	2.9222	3.2708	3.3778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.210	F2	C1	Br4	108.890
F2	C1	I5	108.575	Cl3	C1	Br4	109.710
Cl3	C1	I5	110.885	Br4	C1	I5	110.509

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: wB97X-D/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	-0.037
2	F	-0.248
3	Cl	0.069
4	Br	0.051
5	I	0.166

	x	y	z	Total
	-0.445	-0.730	-0.633	1.064
CHELPG
AIM
ESP

	x	y	z
x	11.411	0.238	-0.162
y	0.238	9.296	-0.333
z	-0.162	-0.333	6.540

<r²>	429.645
(<r²>)^1/2	20.728