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	hartrees
Energy at 0K	-598.583630
Energy at 298.15K
HF Energy	-598.583630
Nuclear repulsion energy	90.597956

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	3262	3088	7.59	98.47	0.26	0.41
2	A	1303	1233	47.50	6.76	0.73	0.84
3	A	1153	1091	163.20	4.01	0.48	0.65
4	A	822	779	55.15	7.17	0.63	0.78
5	A	693	656	48.07	15.00	0.19	0.32
6	A	378	358	2.24	4.91	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.569	0.569	-0.131
H2	0.738	1.516	0.364
F3	1.568	-0.351	0.027
Cl4	-1.074	-0.104	0.011

	C1	H2	F3	Cl4
C1		1.0825	1.3675	1.7812
H2	1.0825		2.0716	2.4565
F3	1.3675	2.0716		2.6542
Cl4	1.7812	2.4565	2.6542

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.968		H2	C1	Cl4	115.984
F3	C1	Cl4	114.264

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

using model chemistry: mPW1PW91/6-31G

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	-0.010
2	H	0.217
3	F	-0.276
4	Cl	0.069

	x	y	z	Total
	0.162	1.584	0.502	1.670
CHELPG
AIM
ESP

	x	y	z
x	4.271	0.591	-0.095
y	0.591	2.347	0.071
z	-0.095	0.071	1.370

<r²>	64.728
(<r²>)^1/2	8.045