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	hartrees
Energy at 0K	-3172.447458
Energy at 298.15K	-3172.452128
HF Energy	-3172.082104
Nuclear repulsion energy	321.675143

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	3181	3181	1.03	75.41	0.22	0.37
2	A	1340	1340	12.13	3.12	0.66	0.79
3	A	1236	1236	65.74	1.84	0.42	0.59
4	A	1089	1089	187.64	1.52	0.75	0.86
5	A	777	777	196.76	4.29	0.70	0.83
6	A	664	664	54.78	11.22	0.13	0.22
7	A	427	427	0.65	4.44	0.22	0.36
8	A	315	315	0.04	3.09	0.48	0.65
9	A	224	224	0.02	3.99	0.48	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.459	0.412
Br2	-1.203	-0.185	-0.028
Cl3	1.826	-0.685	-0.068
F4	0.781	1.641	-0.202
H5	0.614	0.591	1.484

	C1	Br2	Cl3	F4	H5
C1		1.9398	1.7627	1.3481	1.0812
Br2	1.9398		3.0701	2.7019	2.4883
Cl3	1.7627	3.0701		2.5532	2.3461
F4	1.3481	2.7019	2.5532		1.9932
H5	1.0812	2.4883	2.3461	1.9932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.943	Br2	C1	F4	109.197
Br2	C1	H5	107.483	Cl3	C1	F4	109.599
Cl3	C1	H5	108.799	F4	C1	H5	109.782

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: B2PLYP=FULL/Def2TZVPP

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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