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	hartrees
Energy at 0K	-10042.717553
Energy at 298.15K
HF Energy	-10042.090467
Nuclear repulsion energy	895.720616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1087	1045	81.69
2	A	757	727	158.16
3	A	735	707	186.39
4	A	427	410	0.97
5	A	311	299	0.37
6	A	263	253	0.76
7	A	245	235	0.36
8	A	179	172	0.02
9	A	136	130	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.456	0.482	0.352
F2	0.550	0.721	1.721
Cl3	0.775	2.020	-0.509
Br4	1.790	-0.852	-0.143
I5	-1.576	-0.262	-0.074

	C1	F2	Cl3	Br4	I5
C1		1.3932	1.7908	1.9509	2.2052
F2	1.3932		2.5908	2.7365	2.9506
Cl3	1.7908	2.5908		3.0681	3.3048
Br4	1.9509	2.7365	3.0681		3.4180
I5	2.2052	2.9506	3.3048	3.4180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.274	F2	C1	Br4	108.683
F2	C1	I5	108.036	Cl3	C1	Br4	110.090
Cl3	C1	I5	111.170	Br4	C1	I5	110.503

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: QCISD/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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