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	hartrees
Energy at 0K	-598.177463
Energy at 298.15K
HF Energy	-597.417831
Nuclear repulsion energy	94.265578

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	3247	3106	4.24	91.06	0.20	0.33
2	A	1329	1271	48.79	1.69	0.55	0.71
3	A	1193	1141	203.45	2.07	0.59	0.74
4	A	890	851	61.21	5.00	0.11	0.20
5	A	763	730	21.77	4.68	0.10	0.18
6	A	419	401	1.42	1.83	0.50	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.531	0.544	-0.129
H2	0.710	1.493	0.349
F3	1.510	-0.337	0.026
Cl4	-1.028	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0768	1.3262	1.6933
H2	1.0768		2.0222	2.3828
F3	1.3262	2.0222		2.5489
Cl4	1.6933	2.3828	2.5489

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.207		H2	C1	Cl4	116.918
F3	C1	Cl4	114.617

All results from a given calculation for CHFCl (Chlorofluoromethyl radical)

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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