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	hartrees
Energy at 0K	-3155.255812
Energy at 298.15K	-3155.260441
HF Energy	-3154.781055
Nuclear repulsion energy	318.338606

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	3215	3059	4.92	71.48	0.28	0.43
2	A	1374	1307	16.59	8.31	0.74	0.85
3	A	1300	1237	70.94	6.48	0.74	0.85
4	A	1101	1047	107.61	2.06	0.73	0.84
5	A	739	703	208.78	5.45	0.65	0.79
6	A	674	641	42.95	9.85	0.13	0.23
7	A	402	383	1.94	5.07	0.30	0.46
8	A	300	285	0.37	3.15	0.63	0.77
9	A	230	219	0.21	4.66	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.569	0.466	0.428
Br2	-1.207	-0.186	-0.030
Cl3	1.823	-0.708	-0.070
F4	0.802	1.686	-0.204
H5	0.612	0.576	1.506

	C1	Br2	Cl3	F4	H5
C1		1.9462	1.7888	1.3930	1.0849
Br2	1.9462		3.0744	2.7505	2.4998
Cl3	1.7888	3.0744		2.6061	2.3662
F4	1.3930	2.7505	2.6061		2.0479
H5	1.0849	2.4998	2.3662	2.0479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	110.730	Br2	C1	F4	109.808
Br2	C1	H5	107.704	Cl3	C1	F4	109.357
Cl3	C1	H5	108.354	F4	C1	H5	110.869

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2/3-21G*

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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