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	hartrees
Energy at 0K	-3170.883827
Energy at 298.15K	-3170.888571
HF Energy	-3169.906137
Nuclear repulsion energy	325.177408

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	3220	3064	0.08	70.43	0.19	0.31
2	A	1347	1282	10.67	3.27	0.47	0.64
3	A	1259	1198	59.74	2.02	0.36	0.53
4	A	1103	1049	171.24	2.18	0.69	0.82
5	A	820	781	180.96	3.25	0.66	0.79
6	A	693	659	39.01	12.66	0.07	0.12
7	A	437	416	0.64	4.16	0.14	0.24
8	A	325	309	0.21	2.17	0.42	0.59
9	A	233	221	0.00	2.48	0.39	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.558	0.453	0.411
Br2	-1.186	-0.185	-0.028
Cl3	1.802	-0.680	-0.067
F4	0.767	1.635	-0.200
H5	0.602	0.588	1.479

	C1	Br2	Cl3	F4	H5
C1		1.9076	1.7497	1.3472	1.0780
Br2	1.9076		3.0290	2.6750	2.4632
Cl3	1.7497	3.0290		2.5394	2.3327
F4	1.3472	2.6750	2.5394		1.9862
H5	1.0780	2.4632	2.3327	1.9862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.754	Br2	C1	F4	109.338
Br2	C1	H5	107.928	Cl3	C1	F4	109.481
Cl3	C1	H5	108.837	F4	C1	H5	109.465

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2=FULL/aug-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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