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	hartrees
Energy at 0K	-3170.416523
Energy at 298.15K	-3170.421227
HF Energy	-3169.777671
Nuclear repulsion energy	320.835595

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	3194	3063	0.17	74.40	0.20	0.33
2	A	1311	1257	10.41	2.96	0.54	0.70
3	A	1238	1187	62.73	1.90	0.42	0.59
4	A	1055	1012	172.16	2.30	0.75	0.86
5	A	800	767	184.96	4.06	0.61	0.76
6	A	676	648	44.55	12.48	0.08	0.15
7	A	428	410	0.65	4.28	0.15	0.26
8	A	319	306	0.13	2.38	0.45	0.62
9	A	232	223	0.01	2.99	0.42	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.566	0.454	0.421
Br2	-1.202	-0.187	-0.029
Cl3	1.827	-0.687	-0.069
F4	0.778	1.655	-0.204
H5	0.614	0.595	1.506

	C1	Br2	Cl3	F4	H5
C1		1.9336	1.7700	1.3706	1.0956
Br2	1.9336		3.0702	2.7098	2.5035
Cl3	1.7700	3.0702		2.5706	2.3659
F4	1.3706	2.7098	2.5706		2.0189
H5	1.0956	2.5035	2.3659	2.0189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.910	Br2	C1	F4	109.000
Br2	C1	H5	108.268	Cl3	C1	F4	109.213
Cl3	C1	H5	109.021	F4	C1	H5	109.395

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2/aug-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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