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	hartrees
Energy at 0K	-598.630488
Energy at 298.15K
HF Energy	-598.630488
Nuclear repulsion energy	93.408467

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	3209	3209	4.07	100.39	0.21	0.34
2	A	1290	1290	63.25	1.57	0.54	0.70
3	A	1198	1198	189.16	2.14	0.66	0.79
4	A	862	862	66.26	6.44	0.13	0.23
5	A	743	743	22.32	5.48	0.14	0.24
6	A	408	408	1.50	1.90	0.53	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.544	0.554	-0.134
H2	0.725	1.506	0.365
F3	1.516	-0.344	0.027
Cl4	-1.037	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0897	1.3326	1.7180
H2	1.0897		2.0397	2.4111
F3	1.3326	2.0397		2.5648
Cl4	1.7180	2.4111	2.5648

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.340		H2	C1	Cl4	116.568
F3	C1	Cl4	113.839

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

using model chemistry: M06-2X/daug-cc-pVDZ

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	0.590
2	H	-0.390
3	F	-0.460
4	Cl	0.260

	x	y	z	Total
	0.020	1.192	0.391	1.254
CHELPG
AIM
ESP

	x	y	z
x	5.300	0.420	-0.109
y	0.420	4.088	-0.021
z	-0.109	-0.021	3.567

<r²>	61.576
(<r²>)^1/2	7.847