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	hartrees
Energy at 0K	-1310.930318
Energy at 298.15K
HF Energy	-1310.930318
Nuclear repulsion energy	487.614714

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	1099	1099	162.43	4.41	0.34	0.50
2	A	777	777	207.56	5.88	0.41	0.58
3	A	709	709	228.32	11.36	0.58	0.73
4	A	455	455	0.50	8.55	0.03	0.05
5	A	328	328	0.30	3.39	0.39	0.56
6	A	276	276	0.16	2.90	0.71	0.83
7	A	244	244	0.25	8.57	0.14	0.25
8	A	176	176	0.04	3.27	0.59	0.74
9	A	133	133	0.08	3.13	0.52	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.438	0.484	0.354
F2	0.527	0.696	1.668
Cl3	0.722	2.009	-0.487
Br4	1.791	-0.824	-0.142
I5	-1.553	-0.273	-0.073

	C1	F2	Cl3	Br4	I5
C1		1.3344	1.7643	1.9464	2.1728
F2	1.3344		2.5307	2.6809	2.8811
Cl3	1.7643	2.5307		3.0480	3.2486
Br4	1.9464	2.6809	3.0480		3.3907
I5	2.1728	2.8811	3.2486	3.3907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.723	F2	C1	Br4	108.149
F2	C1	I5	108.072	Cl3	C1	Br4	110.355
Cl3	C1	I5	110.774	Br4	C1	I5	110.678

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: B3PW91/cc-pVTZ-PP

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	0.033
2	F	-0.111
3	Cl	-0.033
4	Br	0.032
5	I	0.079

	x	y	z	Total
	-0.268	-0.213	-0.366	0.501
CHELPG
AIM
ESP

	x	y	z
x	13.666	0.190	-0.133
y	0.190	11.192	-0.306
z	-0.133	-0.306	8.202

<r²>	318.284
(<r²>)^1/2	17.841