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	hartrees
Energy at 0K	-3170.735254
Energy at 298.15K	-3170.739981
HF Energy	-3169.903020
Nuclear repulsion energy	323.443225

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	3193	3032	1.43	71.69	0.22	0.36
2	A	1348	1280	13.05	3.58	0.68	0.81
3	A	1245	1182	67.69	2.25	0.52	0.68
4	A	1120	1063	179.29	1.28	0.75	0.85
5	A	810	769	189.99	3.78	0.69	0.82
6	A	684	650	45.72	9.71	0.12	0.21
7	A	434	412	0.83	4.04	0.23	0.38
8	A	322	306	0.07	2.68	0.52	0.68
9	A	230	218	0.02	3.56	0.51	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.564	0.459	0.410
Br2	-1.193	-0.185	-0.028
Cl3	1.813	-0.684	-0.067
F4	0.774	1.640	-0.201
H5	0.608	0.590	1.484

	C1	Br2	Cl3	F4	H5
C1		1.9224	1.7588	1.3461	1.0828
Br2	1.9224		3.0474	2.6890	2.4767
Cl3	1.7588	3.0474		2.5485	2.3413
F4	1.3461	2.6890	2.5485		1.9923
H5	1.0828	2.4767	2.3413	1.9923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.674	Br2	C1	F4	109.449
Br2	C1	H5	107.701	Cl3	C1	F4	109.617
Cl3	C1	H5	108.611	F4	C1	H5	109.752

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2/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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