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	hartrees
Energy at 0K	-3156.758616
Energy at 298.15K	-3156.763099
HF Energy	-3156.653914
Nuclear repulsion energy	310.050543

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	3231	3076	4.77	85.96	0.26	0.41
2	A	1343	1278	24.02	8.38	0.75	0.86
3	A	1231	1172	85.02	7.91	0.75	0.86
4	A	1129	1075	148.32	2.09	0.72	0.84
5	A	676	643	227.88	9.24	0.69	0.82
6	A	616	586	41.27	14.75	0.16	0.27
7	A	361	343	4.44	8.86	0.30	0.46
8	A	290	276	0.19	4.63	0.72	0.84
9	A	205	195	0.60	8.64	0.58	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.548	0.518	0.431
Br2	-1.241	-0.205	-0.030
Cl3	1.918	-0.701	-0.067
F4	0.771	1.711	-0.212
H5	0.620	0.607	1.506

	C1	Br2	Cl3	F4	H5
C1		1.9844	1.9005	1.3727	1.0815
Br2	1.9844		3.1981	2.7844	2.5463
Cl3	1.9005	3.1981		2.6750	2.4232
F4	1.3727	2.7844	2.6750		2.0476
H5	1.0815	2.5463	2.4232	2.0476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	110.798	Br2	C1	F4	110.752
Br2	C1	H5	108.696	Cl3	C1	F4	108.543
Cl3	C1	H5	105.387	F4	C1	H5	112.549

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B2PLYP=FULL/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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