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	hartrees
Energy at 0K	-10047.498874
Energy at 298.15K
HF Energy	-10047.498874
Nuclear repulsion energy	882.282962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1116	1073	151.85
2	A	712	684	257.23
3	A	675	649	261.14
4	A	390	375	5.06
5	A	308	296	0.57
6	A	270	260	0.06
7	A	231	222	0.08
8	A	169	162	0.23
9	A	132	127	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.431	0.438	0.385
F2	0.532	0.674	1.729
Cl3	0.742	2.090	-0.484
Br4	1.846	-0.841	-0.154
I5	-1.596	-0.279	-0.080

	C1	F2	Cl3	Br4	I5
C1		1.3683	1.8921	1.9819	2.2007
F2	1.3683		2.6355	2.7509	2.9511
Cl3	1.8921	2.6355		3.1495	3.3534
Br4	1.9819	2.7509	3.1495		3.4892
I5	2.2007	2.9511	3.3534	3.4892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.768	F2	C1	Br4	109.018
F2	C1	I5	109.332	Cl3	C1	Br4	108.755
Cl3	C1	I5	109.810	Br4	C1	I5	112.965

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: B3PW91/3-21G

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	-0.366
2	F	-0.212
3	Cl	0.076
4	Br	0.209
5	I	0.293

	x	y	z	Total
	-0.579	-1.188	-0.299	1.355
CHELPG
AIM
ESP

	x	y	z
x	10.807	0.306	-0.143
y	0.306	8.133	-0.358
z	-0.143	-0.358	4.266

<r²>	452.040
(<r²>)^1/2	21.261