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	hartrees
Energy at 0K	-598.526994
Energy at 298.15K
HF Energy	-598.338612
Nuclear repulsion energy	93.746590

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	3200	3200	4.70	90.36	0.23	0.37
2	A	1312	1312	42.81	1.65	0.63	0.78
3	A	1171	1171	204.55	2.69	0.53	0.70
4	A	862	862	64.12	4.56	0.15	0.26
5	A	727	727	24.01	6.94	0.11	0.20
6	A	412	412	1.26	2.07	0.52	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.537	0.546	-0.129
H2	0.719	1.499	0.348
F3	1.518	-0.338	0.026
Cl4	-1.035	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0809	1.3300	1.7056
H2	1.0809		2.0292	2.3981
F3	1.3300	2.0292		2.5638
Cl4	1.7056	2.3981	2.5638

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.239		H2	C1	Cl4	116.994
F3	C1	Cl4	114.692

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

using model chemistry: B2PLYP/6-311+G(3df,2p)

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	0.183
2	H	0.192
3	F	-0.221
4	Cl	-0.154

	x	y	z	Total
	-0.098	1.119	0.397	1.191
CHELPG
AIM
ESP

	x	y	z
x	5.282	0.392	-0.110
y	0.392	3.950	-0.028
z	-0.110	-0.028	3.407

<r²>	61.424
(<r²>)^1/2	7.837