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	hartrees
Energy at 0K	-3170.422350
Energy at 298.15K	-3170.427057
HF Energy	-3169.779424
Nuclear repulsion energy	320.947653

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	3192	3192	0.19	74.18	0.19	0.32
2	A	1315	1315	10.13	3.28	0.49	0.66
3	A	1238	1238	62.72	1.92	0.37	0.54
4	A	1055	1055	173.16	2.14	0.73	0.84
5	A	800	800	184.55	3.62	0.59	0.74
6	A	677	677	44.55	13.36	0.07	0.13
7	A	428	428	0.65	4.54	0.14	0.24
8	A	319	319	0.13	2.32	0.43	0.60
9	A	232	232	0.00	2.97	0.39	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.565	0.454	0.421
Br2	-1.202	-0.187	-0.029
Cl3	1.828	-0.686	-0.069
F4	0.775	1.654	-0.204
H5	0.614	0.595	1.506

	C1	Br2	Cl3	F4	H5
C1		1.9324	1.7702	1.3699	1.0951
Br2	1.9324		3.0706	2.7070	2.5031
Cl3	1.7702	3.0706		2.5694	2.3655
F4	1.3699	2.7070	2.5694		2.0182
H5	1.0951	2.5031	2.3655	2.0182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.981	Br2	C1	F4	108.924
Br2	C1	H5	108.343	Cl3	C1	F4	109.153
Cl3	C1	H5	109.002	F4	C1	H5	109.405

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2/daug-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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