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	hartrees
Energy at 0K	-595.776497
Energy at 298.15K
HF Energy	-595.776497
Nuclear repulsion energy	90.518978

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	3077	3057	18.03	97.38	0.28	0.44
2	A	1283	1275	33.63	8.24	0.71	0.83
3	A	1117	1110	119.04	4.14	0.38	0.55
4	A	800	794	55.11	6.04	0.71	0.83
5	A	613	609	53.51	14.93	0.17	0.28
6	A	361	358	1.10	4.48	0.63	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.555	0.562	-0.132
H2	0.692	1.530	0.359
F3	1.582	-0.343	0.027
Cl4	-1.074	-0.107	0.011

	C1	H2	F3	Cl4
C1		1.0939	1.3783	1.7668
H2	1.0939		2.1001	2.4335
F3	1.3783	2.1001		2.6661
Cl4	1.7668	2.4335	2.6661

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.841		H2	C1	Cl4	114.515
F3	C1	Cl4	115.374

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

using model chemistry: BLYP/3-21G*

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	-0.024
2	H	0.216
3	F	-0.201
4	Cl	0.009

	x	y	z	Total
	0.219	1.084	0.548	1.234
CHELPG
AIM
ESP

	x	y	z
x	4.375	0.526	-0.063
y	0.526	2.554	0.103
z	-0.063	0.103	1.520

<r²>	64.669
(<r²>)^1/2	8.042