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	hartrees
Energy at 0K	-10042.091717
Energy at 298.15K
HF Energy	-10042.091717
Nuclear repulsion energy	905.823213

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	1177	1062	95.28	13.15	0.44	0.61
2	A	834	753	174.82	17.03	0.73	0.84
3	A	820	740	181.39	29.39	0.64	0.78
4	A	459	415	0.33	13.01	0.04	0.08
5	A	336	303	1.00	3.94	0.45	0.62
6	A	284	257	2.18	3.16	0.74	0.85
7	A	265	239	0.94	9.18	0.18	0.31
8	A	194	175	0.06	3.77	0.60	0.75
9	A	146	131	0.08	3.20	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.469	0.334
F2	0.540	0.700	1.685
Cl3	0.762	2.003	-0.491
Br4	1.780	-0.838	-0.141
I5	-1.562	-0.261	-0.073

	C1	F2	Cl3	Br4	I5
C1		1.3738	1.7704	1.9279	2.1738
F2	1.3738		2.5460	2.6907	2.9040
Cl3	1.7704	2.5460		3.0376	3.2711
Br4	1.9279	2.6907	3.0376		3.3920
I5	2.1738	2.9040	3.2711	3.3920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	107.466	F2	C1	Br4	107.986
F2	C1	I5	107.744	Cl3	C1	Br4	110.368
Cl3	C1	I5	111.652	Br4	C1	I5	111.437

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: HF/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	0.054
2	F	-0.351
3	Cl	0.063
4	Br	0.043
5	I	0.191

	x	y	z	Total
	-0.601	-0.795	-1.002	1.413
CHELPG
AIM
ESP

	x	y	z
x	11.254	0.248	-0.159
y	0.248	9.007	-0.324
z	-0.159	-0.324	6.242

<r²>	430.523
(<r²>)^1/2	20.749