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	hartrees
Energy at 0K	-57.907997
Energy at 298.15K	-57.912510
HF Energy	-57.657162
Nuclear repulsion energy	59.271952

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	3212	3104	10.62	101.43	0.21	0.35
2	A	1280	1237	23.43	10.77	0.73	0.84
3	A	1249	1207	77.65	7.57	0.74	0.85
4	A	949	917	167.90	4.21	0.54	0.71
5	A	741	717	175.43	8.93	0.63	0.77
6	A	627	605	41.88	14.12	0.20	0.34
7	A	382	369	2.01	8.27	0.38	0.55
8	A	291	281	1.17	5.24	0.66	0.79
9	A	215	208	0.12	10.22	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.567	0.456	0.444
Br2	-1.252	-0.201	-0.031
Cl3	1.926	-0.699	-0.072
F4	0.782	1.728	-0.209
H5	0.629	0.625	1.531

	C1	Br2	Cl3	F4	H5
C1		1.9917	1.8572	1.4455	1.1016
Br2	1.9917		3.2172	2.8086	2.5808
Cl3	1.8572	3.2172		2.6867	2.4507
F4	1.4455	2.8086	2.6867		2.0660
H5	1.1016	2.5808	2.4507	2.0660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.371	Br2	C1	F4	108.554
Br2	C1	H5	109.712	Cl3	C1	F4	108.232
Cl3	C1	H5	109.160	F4	C1	H5	107.643

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2/CEP-31G

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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