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	hartrees
Energy at 0K	-3170.350066
Energy at 298.15K	-3170.354780
HF Energy	-3169.759138
Nuclear repulsion energy	320.746464

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	3197	3045	6.09	82.79	0.24	0.38
2	A	1343	1279	20.55	4.95	0.75	0.86
3	A	1243	1184	78.81	3.57	0.67	0.80
4	A	1127	1073	194.96	1.30	0.74	0.85
5	A	806	768	195.81	4.13	0.64	0.78
6	A	675	643	53.53	9.33	0.16	0.28
7	A	432	411	1.20	4.24	0.30	0.46
8	A	320	305	0.08	3.11	0.56	0.71
9	A	231	220	0.06	5.04	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.462	0.412
Br2	-1.205	-0.186	-0.028
Cl3	1.830	-0.688	-0.068
F4	0.782	1.648	-0.203
H5	0.614	0.592	1.500

	C1	Br2	Cl3	F4	H5
C1		1.9427	1.7700	1.3520	1.0974
Br2	1.9427		3.0766	2.7098	2.5003
Cl3	1.7700	3.0766		2.5637	2.3615
F4	1.3520	2.7098	2.5637		2.0109
H5	1.0974	2.5003	2.3615	2.0109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.844	Br2	C1	F4	109.358
Br2	C1	H5	107.374	Cl3	C1	F4	109.683
Cl3	C1	H5	108.611	F4	C1	H5	109.931

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2/cc-pVDZ

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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