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	hartrees
Energy at 0K	-10046.595350
Energy at 298.15K
HF Energy	-10046.595350
Nuclear repulsion energy	895.726194

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	1057	1007	105.92	1.61	0.74	0.85
2	A	682	650	226.15	2.85	0.52	0.68
3	A	663	632	267.43	6.22	0.57	0.73
4	A	410	391	3.04	9.63	0.04	0.08
5	A	299	285	0.27	3.61	0.62	0.76
6	A	253	241	0.02	3.71	0.75	0.86
7	A	232	221	0.06	8.84	0.20	0.33
8	A	167	159	0.02	4.38	0.61	0.76
9	A	127	121	0.06	3.81	0.58	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.456	0.479	0.369
F2	0.547	0.717	1.731
Cl3	0.775	2.027	-0.512
Br4	1.784	-0.855	-0.145
I5	-1.571	-0.262	-0.075

	C1	F2	Cl3	Br4	I5
C1		1.3857	1.8093	1.9508	2.2042
F2	1.3857		2.6071	2.7426	2.9514
Cl3	1.8093	2.6071		3.0754	3.3067
Br4	1.9508	2.7426	3.0754		3.4080
I5	2.2042	2.9514	3.3067	3.4080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.645	F2	C1	Br4	109.400
F2	C1	I5	108.438	Cl3	C1	Br4	109.691
Cl3	C1	I5	110.569	Br4	C1	I5	110.063

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: PBEPBE/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	-0.081
2	F	-0.189
3	Cl	0.073
4	Br	0.061
5	I	0.136

	x	y	z	Total
	-0.171	-0.598	-0.363	0.720
CHELPG
AIM
ESP

	x	y	z
x	12.181	0.296	-0.166
y	0.296	9.812	-0.363
z	-0.166	-0.363	6.765

<r²>	437.195
(<r²>)^1/2	20.909