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	hartrees
Energy at 0K	-176.312764
Energy at 298.15K
HF Energy	-175.998964
Nuclear repulsion energy	111.614670

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	913	879	165.41	1.72	0.70	0.82
2	A	712	686	154.12	4.02	0.53	0.69
3	A	687	662	175.79	1.90	0.75	0.86
4	A	394	380	1.06	7.72	0.15	0.25
5	A	300	289	0.28	5.97	0.70	0.82
6	A	264	255	0.74	5.48	0.73	0.85
7	A	234	225	0.38	11.09	0.29	0.45
8	A	176	170	0.02	6.88	0.71	0.83
9	A	137	132	0.21	7.10	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.413	0.470	0.327
F2	0.511	0.702	1.753
Cl3	0.716	2.120	-0.489
Br4	1.873	-0.843	-0.148
I5	-1.600	-0.295	-0.080

	C1	F2	Cl3	Br4	I5
C1		1.4485	1.8655	2.0196	2.1917
F2	1.4485		2.6606	2.8029	2.9686
Cl3	1.8655	2.6606		3.1985	3.3712
Br4	2.0196	2.8029	3.1985		3.5163
I5	2.1917	2.9686	3.3712	3.5163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.123	F2	C1	Br4	106.678
F2	C1	I5	107.516	Cl3	C1	Br4	110.767
Cl3	C1	I5	112.138	Br4	C1	I5	113.160

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

using model chemistry: MP2/LANL2DZ

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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