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	hartrees
Energy at 0K
Energy at 298.15K	-0.033456
HF Energy	-0.033456
Nuclear repulsion energy	122.906119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1184	1257	88.28
2	A	782	831	326.55
3	A	694	738	271.55
4	A	467	497	9.56
5	A	315	335	0.40
6	A	237	252	0.09
7	A	224	238	0.99
8	A	142	151	0.03
9	A	104	111	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.433	0.487	0.335
F2	0.402	0.708	1.667
Cl3	0.801	2.010	-0.480
Br4	1.815	-0.840	-0.121
I5	-1.572	-0.266	-0.088

	C1	F2	Cl3	Br4	I5
C1		1.3507	1.7659	1.9688	2.1834
F2	1.3507		2.5419	2.7547	2.8152
Cl3	1.7659	2.5419		3.0458	3.3111
Br4	1.9688	2.7547	3.0458		3.4357
I5	2.1834	2.8152	3.3111	3.4357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.564	F2	C1	Br4	110.793
F2	C1	I5	103.068	Cl3	C1	Br4	109.161
Cl3	C1	I5	113.525	Br4	C1	I5	111.569

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: PM6

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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