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	hartrees
Energy at 0K	-3170.368740
Energy at 298.15K	-3170.373457
HF Energy	-3169.759216
Nuclear repulsion energy	321.008513

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	3201	3042	6.05	82.43	0.24	0.38
2	A	1344	1278	20.45	4.94	0.75	0.85
3	A	1244	1182	78.44	3.57	0.66	0.80
4	A	1128	1072	194.74	1.29	0.74	0.85
5	A	807	767	195.67	4.09	0.64	0.78
6	A	676	642	52.73	9.28	0.16	0.28
7	A	433	411	1.19	4.21	0.30	0.46
8	A	320	304	0.08	3.09	0.56	0.71
9	A	231	220	0.06	5.02	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.462	0.411
Br2	-1.204	-0.186	-0.028
Cl3	1.828	-0.687	-0.068
F4	0.781	1.647	-0.202
H5	0.613	0.592	1.499

	C1	Br2	Cl3	F4	H5
C1		1.9407	1.7685	1.3515	1.0965
Br2	1.9407		3.0738	2.7079	2.4979
Cl3	1.7685	3.0738		2.5621	2.3595
F4	1.3515	2.7079	2.5621		2.0095
H5	1.0965	2.4979	2.3595	2.0095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.847	Br2	C1	F4	109.371
Br2	C1	H5	107.374	Cl3	C1	F4	109.689
Cl3	C1	H5	108.606	F4	C1	H5	109.913

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2=FULL/cc-pVDZ

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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