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	hartrees
Energy at 0K	-9989.708289
Energy at 298.15K
HF Energy	-9989.708289
Nuclear repulsion energy	866.002539

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	1232	1139	126.27	1.27	0.75	0.86
2	A	722	668	225.44	3.06	0.34	0.50
3	A	678	627	242.60	5.05	0.63	0.77
4	A	416	385	8.26	8.44	0.02	0.04
5	A	317	293	1.59	4.07	0.75	0.86
6	A	272	252	2.31	4.39	0.74	0.85
7	A	221	204	0.82	8.58	0.25	0.40
8	A	159	147	0.50	5.01	0.66	0.79
9	A	131	121	0.10	4.88	0.66	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.459	0.430	0.413
F2	0.570	0.685	1.763
Cl3	0.771	2.130	-0.497
Br4	1.867	-0.865	-0.162
I5	-1.629	-0.277	-0.080

	C1	F2	Cl3	Br4	I5
C1		1.3788	1.9531	1.9976	2.2585
F2	1.3788		2.6902	2.7912	3.0260
Cl3	1.9531	2.6902		3.2067	3.4242
Br4	1.9976	2.7912	3.2067		3.5458
I5	2.2585	3.0260	3.4242	3.5458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.411	F2	C1	Br4	110.173
F2	C1	I5	110.242	Cl3	C1	Br4	108.517
Cl3	C1	I5	108.573	Br4	C1	I5	112.699

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: BLYP/STO-3G

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	0.018
2	F	0.017
3	Cl	-0.159
4	Br	0.062
5	I	0.062

	x	y	z	Total
	0.071	-1.257	1.281	1.796
CHELPG
AIM
ESP

	x	y	z
x	7.508	0.355	0.035
y	0.355	5.038	-0.210
z	0.035	-0.210	2.225

<r²>	464.301
(<r²>)^1/2	21.548