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	hartrees
Energy at 0K	-3171.104625
Energy at 298.15K	-3171.109366
HF Energy	-3169.921865
Nuclear repulsion energy	325.674589

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	3202	3063	0.06	71.30	0.19	0.31
2	A	1347	1288	9.79	3.34	0.47	0.64
3	A	1252	1197	58.65	2.01	0.35	0.52
4	A	1104	1056	171.99	2.13	0.69	0.81
5	A	824	788	183.21	3.09	0.67	0.80
6	A	694	664	37.60	12.81	0.06	0.12
7	A	437	418	0.64	4.13	0.13	0.24
8	A	325	311	0.26	2.10	0.43	0.60
9	A	232	222	0.01	2.38	0.40	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.556	0.452	0.409
Br2	-1.184	-0.185	-0.028
Cl3	1.800	-0.678	-0.067
F4	0.766	1.633	-0.200
H5	0.602	0.586	1.480

	C1	Br2	Cl3	F4	H5
C1		1.9039	1.7471	1.3448	1.0801
Br2	1.9039		3.0248	2.6708	2.4610
Cl3	1.7471	3.0248		2.5357	2.3299
F4	1.3448	2.6708	2.5357		1.9860
H5	1.0801	2.4610	2.3299	1.9860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.817	Br2	C1	F4	109.389
Br2	C1	H5	107.913	Cl3	C1	F4	109.506
Cl3	C1	H5	108.691	F4	C1	H5	109.485

All results from a given calculation for CHFClBr (fluorochlorobromomethane)

using model chemistry: MP2=FULL/aug-cc-pVQZ

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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