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	hartrees
Energy at 0K	-3170.862443
Energy at 298.15K	-3170.867184
HF Energy	-3169.775731
Nuclear repulsion energy	322.315728

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	3042	5.18	71.36	0.26	0.42
2	A	1382	1309	22.66	6.51	0.75	0.86
3	A	1293	1224	83.48	4.28	0.68	0.81
4	A	1125	1065	194.70	1.26	0.75	0.86
5	A	819	775	207.31	4.33	0.67	0.80
6	A	684	648	54.74	10.04	0.17	0.29
7	A	439	416	1.12	4.30	0.33	0.50
8	A	326	309	0.12	3.38	0.56	0.72
9	A	236	223	0.05	5.29	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.570	0.455	0.411
Br2	-1.201	-0.185	-0.028
Cl3	1.825	-0.681	-0.068
F4	0.776	1.637	-0.202
H5	0.614	0.595	1.487

	C1	Br2	Cl3	F4	H5
C1		1.9332	1.7589	1.3472	1.0861
Br2	1.9332		3.0661	2.6939	2.4893
Cl3	1.7589	3.0661		2.5480	2.3472
F4	1.3472	2.6939	2.5480		1.9909
H5	1.0861	2.4893	2.3472	1.9909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.202	Br2	C1	F4	109.104
Br2	C1	H5	107.740	Cl3	C1	F4	109.524
Cl3	C1	H5	108.875	F4	C1	H5	109.345

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2=FULL/6-311G*

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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