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	hartrees
Energy at 0K	-597.995233
Energy at 298.15K
HF Energy	-597.404426
Nuclear repulsion energy	93.729657

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	3229	3077	4.99	92.82	0.20	0.34
2	A	1321	1258	47.28	1.64	0.56	0.72
3	A	1181	1125	204.42	2.22	0.57	0.72
4	A	886	845	53.86	3.88	0.14	0.25
5	A	776	740	32.04	6.77	0.09	0.17
6	A	414	394	1.29	1.96	0.49	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.536	0.549	-0.133
H2	0.713	1.494	0.362
F3	1.517	-0.339	0.027
Cl4	-1.034	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0807	1.3328	1.7061
H2	1.0807		2.0288	2.3922
F3	1.3328	2.0288		2.5617
Cl4	1.7061	2.3922	2.5617

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.003		H2	C1	Cl4	116.477
F3	C1	Cl4	114.349

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

using model chemistry: MP2/aug-cc-pVTZ

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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