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	hartrees
Energy at 0K	-598.268403
Energy at 298.15K
HF Energy	-598.186364
Nuclear repulsion energy	89.773822

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	3251	3251	8.52	99.03	0.26	0.41
2	A	1301	1301	45.07	7.38	0.73	0.85
3	A	1118	1118	160.10	4.15	0.47	0.64
4	A	833	833	32.48	6.08	0.75	0.85
5	A	694	694	67.69	18.63	0.21	0.34
6	A	369	369	2.15	5.55	0.63	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.576	0.576	-0.135
H2	0.743	1.515	0.379
F3	1.582	-0.355	0.027
Cl4	-1.084	-0.105	0.011

	C1	H2	F3	Cl4
C1		1.0834	1.3802	1.8008
H2	1.0834		2.0792	2.4699
F3	1.3802	2.0792		2.6781
Cl4	1.8008	2.4699	2.6781

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.587		H2	C1	Cl4	115.566
F3	C1	Cl4	114.031

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

using model chemistry: B2PLYP/6-31G

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	0.044
2	H	0.194
3	F	-0.285
4	Cl	0.048

	x	y	z	Total
	0.152	1.619	0.481	1.696
CHELPG
AIM
ESP

	x	y	z
x	4.393	0.608	-0.091
y	0.608	2.370	0.081
z	-0.091	0.081	1.355

<r²>	65.796
(<r²>)^1/2	8.111