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	hartrees
Energy at 0K	-69.499144
Energy at 298.15K
HF Energy	-69.499144
Nuclear repulsion energy	84.433164

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	1018	1018	180.17	2.77	0.68	0.81
2	A	763	763	224.31	5.62	0.75	0.86
3	A	727	727	252.26	6.82	0.73	0.84
4	A	424	424	1.75	10.94	0.05	0.10
5	A	318	318	0.19	6.63	0.65	0.79
6	A	276	276	0.54	6.25	0.73	0.85
7	A	246	246	0.38	13.98	0.31	0.47
8	A	179	179	0.01	7.93	0.72	0.83
9	A	138	138	0.14	7.68	0.68	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.420	0.465	0.340
F2	0.517	0.679	1.726
Cl3	0.723	2.092	-0.480
Br4	1.840	-0.838	-0.149
I5	-1.582	-0.286	-0.079

	C1	F2	Cl3	Br4	I5
C1		1.4056	1.8467	1.9886	2.1787
F2	1.4056		2.6271	2.7511	2.9314
Cl3	1.8467	2.6271		3.1531	3.3355
Br4	1.9886	2.7511	3.1531		3.4673
I5	2.1787	2.9314	3.3355	3.4673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.979	F2	C1	Br4	107.043
F2	C1	I5	107.788	Cl3	C1	Br4	110.542
Cl3	C1	I5	111.647	Br4	C1	I5	112.535

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: wB97X-D/CEP-31G

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	-0.521
2	F	-0.104
3	Cl	0.107
4	Br	0.213
5	I	0.305

	x	y	z	Total
	-0.817	-0.938	-1.088	1.652
CHELPG
AIM
ESP

	x	y	z
x	10.651	0.342	-0.031
y	0.342	7.975	-0.251
z	-0.031	-0.251	3.915

<r²>	146.712
(<r²>)^1/2	12.112