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	hartrees
Energy at 0K	-57.945024
Energy at 298.15K	-57.949557
HF Energy	-57.661242
Nuclear repulsion energy	59.405538

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	3157	3081	7.07	80.57	0.23	0.37
2	A	1278	1247	22.89	11.28	0.75	0.85
3	A	1251	1221	76.26	9.14	0.72	0.84
4	A	951	928	171.01	2.97	0.55	0.71
5	A	737	719	178.00	8.06	0.59	0.74
6	A	625	610	41.18	13.67	0.19	0.32
7	A	379	370	2.14	7.35	0.36	0.53
8	A	291	284	1.18	5.11	0.66	0.79
9	A	215	210	0.12	9.52	0.61	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.567	0.455	0.446
Br2	-1.250	-0.200	-0.031
Cl3	1.923	-0.698	-0.072
F4	0.782	1.723	-0.209
H5	0.629	0.622	1.524

	C1	Br2	Cl3	F4	H5
C1		1.9891	1.8535	1.4430	1.0930
Br2	1.9891		3.2116	2.8031	2.5735
Cl3	1.8535	3.2116		2.6791	2.4422
F4	1.4430	2.8031	2.6791		2.0591
H5	1.0930	2.5735	2.4422	2.0591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.353	Br2	C1	F4	108.469
Br2	C1	H5	109.783	Cl3	C1	F4	108.078
Cl3	C1	H5	109.225	F4	C1	H5	107.770

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2/CEP-121G

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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