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	hartrees
Energy at 0K	-598.518373
Energy at 298.15K
HF Energy	-598.518373
Nuclear repulsion energy	90.732511

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	3264	3264	6.32	100.72	0.25	0.40
2	A	1307	1307	59.18	6.55	0.72	0.84
3	A	1177	1177	155.01	4.21	0.56	0.72
4	A	825	825	52.65	8.25	0.60	0.75
5	A	698	698	46.72	13.87	0.19	0.32
6	A	379	379	2.78	4.75	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.571	0.571	-0.132
H2	0.740	1.517	0.367
F3	1.562	-0.354	0.027
Cl4	-1.072	-0.104	0.011

	C1	H2	F3	Cl4
C1		1.0822	1.3649	1.7815
H2	1.0822		2.0707	2.4570
F3	1.3649	2.0707		2.6455
Cl4	1.7815	2.4570	2.6455

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.109		H2	C1	Cl4	116.023
F3	C1	Cl4	113.793

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

using model chemistry: M06-2X/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	0.020
2	H	0.211
3	F	-0.293
4	Cl	0.062

	x	y	z	Total
	0.156	1.665	0.470	1.738
CHELPG
AIM
ESP

	x	y	z
x	4.201	0.621	-0.094
y	0.621	2.355	0.073
z	-0.094	0.073	1.372

<r²>	64.604
(<r²>)^1/2	8.038