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	hartrees
Energy at 0K	-10042.047643
Energy at 298.15K
HF Energy	-10041.689266
Nuclear repulsion energy	871.820141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1094	1061	114.20
2	A	712	690	176.94
3	A	677	656	181.24
4	A	371	360	3.18
5	A	300	291	0.09
6	A	267	259	0.61
7	A	225	218	0.27
8	A	166	161	0.36
9	A	131	127	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.436	0.376
F2	0.524	0.668	1.740
Cl3	0.748	2.126	-0.478
Br4	1.876	-0.848	-0.155
I5	-1.616	-0.285	-0.083

	C1	F2	Cl3	Br4	I5
C1		1.3865	1.9213	2.0083	2.2125
F2	1.3865		2.6637	2.7775	2.9672
Cl3	1.9213	2.6637		3.1970	3.3995
Br4	2.0083	2.7775	3.1970		3.5373
I5	2.2125	2.9672	3.3995	3.5373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.140	F2	C1	Br4	108.408
F2	C1	I5	108.892	Cl3	C1	Br4	108.873
Cl3	C1	I5	110.445	Br4	C1	I5	113.783

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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