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	hartrees
Energy at 0K	-3170.894543
Energy at 298.15K	-3170.899278
HF Energy	-3169.906596
Nuclear repulsion energy	325.390743

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	3210	3210	0.09	71.22	0.19	0.31
2	A	1353	1353	11.20	3.42	0.45	0.62
3	A	1257	1257	61.05	1.91	0.36	0.53
4	A	1109	1109	170.51	2.13	0.68	0.81
5	A	824	824	181.35	3.16	0.66	0.79
6	A	695	695	37.68	12.95	0.06	0.12
7	A	438	438	0.63	4.17	0.13	0.24
8	A	326	326	0.22	2.14	0.42	0.59
9	A	232	232	0.00	2.45	0.39	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.556	0.453	0.411
Br2	-1.185	-0.185	-0.028
Cl3	1.803	-0.678	-0.067
F4	0.764	1.633	-0.201
H5	0.604	0.589	1.481

	C1	Br2	Cl3	F4	H5
C1		1.9054	1.7500	1.3459	1.0789
Br2	1.9054		3.0287	2.6711	2.4654
Cl3	1.7500	3.0287		2.5368	2.3320
F4	1.3459	2.6711	2.5368		1.9854
H5	1.0789	2.4654	2.3320	1.9854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.829	Br2	C1	F4	109.269
Br2	C1	H5	108.194	Cl3	C1	F4	109.360
Cl3	C1	H5	108.721	F4	C1	H5	109.432

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2=FULL/daug-cc-pVTZ

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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