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	hartrees
Energy at 0K	-3466.999842
Energy at 298.15K
HF Energy	-3465.909449
Nuclear repulsion energy	598.465116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1186	1186	156.24
2	A	879	879	174.67
3	A	816	816	180.90
4	A	488	488	0.30
5	A	356	356	0.11
6	A	302	302	0.72
7	A	268	268	0.36
8	A	194	194	0.05
9	A	147	147	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.422	0.468	0.342
F2	0.512	0.680	1.649
Cl3	0.705	1.986	-0.476
Br4	1.769	-0.809	-0.140
I5	-1.529	-0.271	-0.073

	C1	F2	Cl3	Br4	I5
C1		1.3268	1.7476	1.9181	2.1272
F2	1.3268		2.5022	2.6453	2.8348
Cl3	1.7476	2.5022		3.0099	3.2014
Br4	1.9181	2.6453	3.0099		3.3417
I5	2.1272	2.8348	3.2014	3.3417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.179	F2	C1	Br4	107.823
F2	C1	I5	108.068	Cl3	C1	Br4	110.306
Cl3	C1	I5	111.044	Br4	C1	I5	111.286

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: CISD/Def2TZVPP

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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