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	hartrees
Energy at 0K	-10047.617964
Energy at 298.15K
HF Energy	-10047.617964
Nuclear repulsion energy	886.200454

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	1118	1118	148.27	4.90	0.43	0.60
2	A	746	746	218.16	9.17	0.68	0.81
3	A	717	717	230.89	10.51	0.70	0.83
4	A	403	403	3.83	11.87	0.05	0.09
5	A	315	315	0.14	5.62	0.69	0.82
6	A	276	276	0.34	5.36	0.74	0.85
7	A	238	238	0.17	11.81	0.26	0.41
8	A	175	175	0.37	6.20	0.68	0.81
9	A	136	136	0.02	5.84	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.426	0.437	0.378
F2	0.529	0.674	1.724
Cl3	0.738	2.078	-0.483
Br4	1.839	-0.836	-0.153
I5	-1.589	-0.278	-0.080

	C1	F2	Cl3	Br4	I5
C1		1.3695	1.8795	1.9750	2.1874
F2	1.3695		2.6244	2.7414	2.9403
Cl3	1.8795	2.6244		3.1331	3.3365
Br4	1.9750	2.7414	3.1331		3.4745
I5	2.1874	2.9403	3.3365	3.4745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.703	F2	C1	Br4	108.756
F2	C1	I5	109.348	Cl3	C1	Br4	108.728
Cl3	C1	I5	110.022	Br4	C1	I5	113.076

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: wB97X-D/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	-0.380
2	F	-0.229
3	Cl	0.082
4	Br	0.211
5	I	0.315

	x	y	z	Total
	-0.716	-1.213	-0.400	1.464
CHELPG
AIM
ESP

	x	y	z
x	10.424	0.282	-0.141
y	0.282	7.881	-0.346
z	-0.141	-0.346	4.180

<r²>	448.531
(<r²>)^1/2	21.179