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	hartrees
Energy at 0K	-3167.832201
Energy at 298.15K	-3167.836920
HF Energy	-3167.235458
Nuclear repulsion energy	321.794471

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	3248	3035	4.88	73.15	0.27	0.42
2	A	1374	1284	23.10	5.86	0.75	0.86
3	A	1283	1199	83.44	4.59	0.66	0.80
4	A	1138	1063	168.36	1.49	0.74	0.85
5	A	824	770	184.93	4.05	0.65	0.79
6	A	675	631	59.86	10.00	0.15	0.26
7	A	433	405	1.57	3.93	0.29	0.45
8	A	317	296	0.11	2.98	0.52	0.69
9	A	235	220	0.09	4.34	0.52	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.578	0.453	0.416
Br2	-1.202	-0.183	-0.029
Cl3	1.820	-0.686	-0.069
F4	0.784	1.642	-0.202
H5	0.613	0.586	1.491

	C1	Br2	Cl3	F4	H5
C1		1.9425	1.7536	1.3560	1.0833
Br2	1.9425		3.0641	2.7034	2.4888
Cl3	1.7536	3.0641		2.5516	2.3470
F4	1.3560	2.7034	2.5516		2.0029
H5	1.0833	2.4888	2.3470	2.0029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.898	Br2	C1	F4	108.789
Br2	C1	H5	107.241	Cl3	C1	F4	109.623
Cl3	C1	H5	109.368	F4	C1	H5	109.883

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2=FULL/6-31G**

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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