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	hartrees
Energy at 0K	-68.262744
Energy at 298.15K
HF Energy	-68.262744
Nuclear repulsion energy	85.152421

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	1101	1004	199.79	14.68	0.52	0.69
2	A	826	754	203.46	28.18	0.75	0.86
3	A	785	716	207.78	30.05	0.75	0.86
4	A	446	407	1.29	17.68	0.04	0.07
5	A	335	306	1.42	7.65	0.56	0.72
6	A	290	265	2.92	6.43	0.75	0.86
7	A	258	235	0.80	17.69	0.26	0.41
8	A	190	173	0.18	7.95	0.69	0.82
9	A	146	133	0.10	7.93	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.419	0.458	0.327
F2	0.514	0.671	1.700
Cl3	0.724	2.075	-0.471
Br4	1.833	-0.832	-0.147
I5	-1.577	-0.282	-0.078

	C1	F2	Cl3	Br4	I5
C1		1.3926	1.8281	1.9722	2.1672
F2	1.3926		2.5934	2.7219	2.9058
Cl3	1.8281	2.5934		3.1281	3.3173
Br4	1.9722	2.7219	3.1281		3.4553
I5	2.1672	2.9058	3.3173	3.4553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.477	F2	C1	Br4	106.712
F2	C1	I5	107.421	Cl3	C1	Br4	110.741
Cl3	C1	I5	111.977	Br4	C1	I5	113.089

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: HF/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	-0.503
2	F	-0.216
3	Cl	0.100
4	Br	0.252
5	I	0.367

	x	y	z	Total
	-1.039	-1.184	-1.291	2.037
CHELPG
AIM
ESP

	x	y	z
x	10.945	0.269	-0.063
y	0.269	7.979	-0.228
z	-0.063	-0.228	3.876

<r²>	145.619
(<r²>)^1/2	12.067