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	hartrees
Energy at 0K	-10047.902524
Energy at 298.15K
HF Energy	-10047.902524
Nuclear repulsion energy	884.520601

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	1036	1029	108.36	2.10	0.71	0.83
2	A	649	645	236.96	4.35	0.49	0.66
3	A	627	623	257.97	6.00	0.63	0.77
4	A	392	389	4.67	10.53	0.05	0.09
5	A	290	288	0.89	4.01	0.65	0.78
6	A	246	244	0.15	4.00	0.75	0.86
7	A	223	221	0.10	10.06	0.18	0.31
8	A	162	161	0.03	4.97	0.59	0.74
9	A	124	123	0.10	4.30	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.463	0.478	0.374
F2	0.551	0.713	1.740
Cl3	0.788	2.055	-0.509
Br4	1.812	-0.863	-0.148
I5	-1.595	-0.264	-0.077

	C1	F2	Cl3	Br4	I5
C1		1.3884	1.8366	1.9730	2.2337
F2	1.3884		2.6293	2.7637	2.9768
Cl3	1.8366	2.6293		3.1141	3.3538
Br4	1.9730	2.7637	3.1141		3.4599
I5	2.2337	2.9768	3.3538	3.4599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.432	F2	C1	Br4	109.379
F2	C1	I5	108.268	Cl3	C1	Br4	109.605
Cl3	C1	I5	110.595	Br4	C1	I5	110.516

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: BLYP/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	-0.027
2	F	-0.191
3	Cl	0.043
4	Br	0.049
5	I	0.126

	x	y	z	Total
	-0.203	-0.661	-0.308	0.757
CHELPG
AIM
ESP

	x	y	z
x	12.515	0.327	-0.170
y	0.327	9.985	-0.378
z	-0.170	-0.378	6.767

<r²>	447.952
(<r²>)^1/2	21.165