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	hartrees
Energy at 0K	-597.404976
Energy at 298.15K
HF Energy	-597.404976
Nuclear repulsion energy	94.128401

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	3340	3040	8.04	86.98	0.21	0.34
2	A	1418	1291	70.10	1.32	0.46	0.63
3	A	1288	1172	209.42	2.33	0.71	0.83
4	A	925	842	34.75	2.60	0.25	0.39
5	A	826	752	57.12	11.67	0.13	0.23
6	A	435	396	2.00	1.77	0.45	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.552	0.544	-0.133
H2	0.729	1.479	0.362
F3	1.504	-0.341	0.027
Cl4	-1.034	-0.099	0.011

	C1	H2	F3	Cl4
C1		1.0721	1.3088	1.7171
H2	1.0721		2.0053	2.3913
F3	1.3088	2.0053		2.5490
Cl4	1.7171	2.3913	2.5490

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.389		H2	C1	Cl4	116.106
F3	C1	Cl4	114.106

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.031
2	H	0.425
3	F	-0.318
4	Cl	-0.076

	x	y	z	Total
	0.136	1.363	0.309	1.404
CHELPG
AIM
ESP

	x	y	z
x	4.800	0.366	-0.067
y	0.366	3.757	0.007
z	-0.067	0.007	3.282

<r²>	60.971
(<r²>)^1/2	7.808