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	hartrees
Energy at 0K	-598.700721
Energy at 298.15K
HF Energy	-598.700721
Nuclear repulsion energy	91.791455

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	3066	3059	18.18	108.69	0.30	0.46
2	A	1268	1265	40.70	5.80	0.74	0.85
3	A	1100	1097	202.26	3.41	0.41	0.58
4	A	825	823	47.49	3.69	0.75	0.86
5	A	686	684	65.64	15.91	0.21	0.35
6	A	385	384	0.63	4.62	0.63	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.559	0.558	-0.141
H2	0.732	1.499	0.388
F3	1.547	-0.345	0.029
Cl4	-1.060	-0.102	0.012

	C1	H2	F3	Cl4
C1		1.0936	1.3490	1.7550
H2	1.0936		2.0481	2.4321
F3	1.3490	2.0481		2.6181
Cl4	1.7550	2.4321	2.6181

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.556		H2	C1	Cl4	115.283
F3	C1	Cl4	114.385

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

using model chemistry: BLYP/6-311G*

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	-0.062
2	H	0.231
3	F	-0.147
4	Cl	-0.022

	x	y	z	Total
	0.166	1.123	0.509	1.244
CHELPG
AIM
ESP

	x	y	z
x	4.834	0.696	-0.161
y	0.696	2.766	0.060
z	-0.161	0.060	1.897

<r²>	63.495
(<r²>)^1/2	7.968