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	hartrees
Energy at 0K	-598.053975
Energy at 298.15K
HF Energy	-597.417780
Nuclear repulsion energy	94.018943

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	3235	3073	4.55	92.23	0.20	0.33
2	A	1323	1256	47.33	1.71	0.56	0.71
3	A	1183	1124	204.51	2.13	0.58	0.73
4	A	888	843	58.62	4.56	0.12	0.22
5	A	771	732	26.14	5.46	0.09	0.17
6	A	417	396	1.36	1.89	0.50	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.533	0.547	-0.131
H2	0.712	1.494	0.356
F3	1.512	-0.338	0.027
Cl4	-1.031	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0794	1.3298	1.6989
H2	1.0794		2.0259	2.3880
F3	1.3298	2.0259		2.5541
Cl4	1.6989	2.3880	2.5541

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.068		H2	C1	Cl4	116.757
F3	C1	Cl4	114.426

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

using model chemistry: MP2/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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