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	hartrees
Energy at 0K	-10048.269215
Energy at 298.15K
HF Energy	-10048.269215
Nuclear repulsion energy	905.670484

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	1059	94.44	5.42	0.45	0.62
2	A	774	733	193.18	7.01	0.68	0.81
3	A	746	707	204.82	14.83	0.55	0.71
4	A	435	412	0.78	10.24	0.03	0.07
5	A	313	296	0.39	3.53	0.47	0.64
6	A	268	254	1.14	3.30	0.72	0.84
7	A	249	235	0.26	7.88	0.21	0.34
8	A	178	169	0.02	3.65	0.64	0.78
9	A	138	131	0.06	3.14	0.59	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.441	0.474	0.347
F2	0.530	0.711	1.705
Cl3	0.754	2.007	-0.501
Br4	1.775	-0.839	-0.141
I5	-1.554	-0.264	-0.075

	C1	F2	Cl3	Br4	I5
C1		1.3817	1.7802	1.9342	2.1687
F2	1.3817		2.5688	2.7136	2.9092
Cl3	1.7802	2.5688		3.0455	3.2661
Br4	1.9342	2.7136	3.0455		3.3786
I5	2.1687	2.9092	3.2661	3.3786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.007	F2	C1	Br4	108.700
F2	C1	I5	107.991	Cl3	C1	Br4	110.087
Cl3	C1	I5	111.220	Br4	C1	I5	110.737

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: M06-2X/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	-0.035
2	F	-0.262
3	Cl	0.076
4	Br	0.063
5	I	0.157

	x	y	z	Total
	-0.349	-0.708	-0.745	1.085
CHELPG
AIM
ESP

	x	y	z
x	11.491	0.258	-0.157
y	0.258	9.253	-0.329
z	-0.157	-0.329	6.427

<r²>	429.270
(<r²>)^1/2	20.719