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	hartrees
Energy at 0K	-3170.677740
Energy at 298.15K	-3170.682466
HF Energy	-3169.837318
Nuclear repulsion energy	321.491061

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	3218	3066	2.27	75.25	0.24	0.39
2	A	1368	1303	21.59	4.89	0.75	0.85
3	A	1274	1214	87.27	2.82	0.63	0.77
4	A	1109	1057	204.14	1.43	0.71	0.83
5	A	811	772	193.50	5.47	0.69	0.82
6	A	678	645	54.00	9.52	0.19	0.31
7	A	436	415	1.18	3.96	0.33	0.49
8	A	323	308	0.11	3.43	0.59	0.74
9	A	230	219	0.03	5.24	0.55	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.570	0.457	0.411
Br2	-1.204	-0.186	-0.028
Cl3	1.831	-0.682	-0.067
F4	0.777	1.641	-0.201
H5	0.610	0.594	1.485

	C1	Br2	Cl3	F4	H5
C1		1.9375	1.7653	1.3494	1.0828
Br2	1.9375		3.0757	2.7006	2.4873
Cl3	1.7653	3.0757		2.5546	2.3513
F4	1.3494	2.7006	2.5546		1.9920
H5	1.0828	2.4873	2.3513	1.9920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.243	Br2	C1	F4	109.184
Br2	C1	H5	107.479	Cl3	C1	F4	109.480
Cl3	C1	H5	108.924	F4	C1	H5	109.482

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2=FULL/TZVP

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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