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	hartrees
Energy at 0K	-3170.870605
Energy at 298.15K	-3170.875355
HF Energy	-3169.777720
Nuclear repulsion energy	322.386216

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	3053	6.03	72.99	0.26	0.41
2	A	1377	1306	23.94	6.20	0.75	0.86
3	A	1279	1213	88.08	4.04	0.68	0.81
4	A	1126	1068	192.85	1.29	0.75	0.86
5	A	822	780	205.39	4.38	0.68	0.81
6	A	683	648	51.47	9.88	0.17	0.29
7	A	439	417	1.13	4.27	0.33	0.50
8	A	326	309	0.12	3.33	0.56	0.72
9	A	236	224	0.04	5.27	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.569	0.454	0.409
Br2	-1.201	-0.185	-0.028
Cl3	1.825	-0.680	-0.068
F4	0.775	1.637	-0.200
H5	0.611	0.587	1.486

	C1	Br2	Cl3	F4	H5
C1		1.9318	1.7582	1.3473	1.0855
Br2	1.9318		3.0664	2.6936	2.4843
Cl3	1.7582	3.0664		2.5477	2.3442
F4	1.3473	2.6936	2.5477		1.9931
H5	1.0855	2.4843	2.3442	1.9931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.318	Br2	C1	F4	109.155
Br2	C1	H5	107.498	Cl3	C1	F4	109.541
Cl3	C1	H5	108.727	F4	C1	H5	109.552

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2=FULL/6-311G**

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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