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	hartrees
Energy at 0K	-598.733896
Energy at 298.15K
HF Energy	-598.733896
Nuclear repulsion energy	92.199803

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	3079	3079	5.68	109.88	0.24	0.38
2	A	1244	1244	28.97	2.12	0.58	0.74
3	A	1081	1081	208.89	3.10	0.66	0.80
4	A	808	808	61.28	4.75	0.14	0.24
5	A	675	675	34.03	9.70	0.13	0.23
6	A	386	386	0.58	2.66	0.48	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.547	0.556	-0.134
H2	0.726	1.507	0.365
F3	1.544	-0.343	0.027
Cl4	-1.053	-0.103	0.011

	C1	H2	F3	Cl4
C1		1.0895	1.3523	1.7364
H2	1.0895		2.0511	2.4261
F3	1.3523	2.0511		2.6084
Cl4	1.7364	2.4261	2.6084

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.851		H2	C1	Cl4	116.425
F3	C1	Cl4	114.667

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

using model chemistry: BLYP/daug-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	0.155
2	H	0.571
3	F	-0.546
4	Cl	-0.181

	x	y	z	Total
	-0.073	1.045	0.428	1.131
CHELPG
AIM
ESP

	x	y	z
x	5.971	0.445	-0.142
y	0.445	4.446	-0.039
z	-0.142	-0.039	3.868

<r²>	63.106
(<r²>)^1/2	7.944