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	hartrees
Energy at 0K	-595.732678
Energy at 298.15K
HF Energy	-595.732678
Nuclear repulsion energy	92.341546

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	3226	3055	9.02	82.92	0.26	0.41
2	A	1352	1280	55.82	6.57	0.69	0.82
3	A	1208	1144	119.28	3.69	0.52	0.68
4	A	847	803	67.39	6.91	0.52	0.69
5	A	677	641	31.26	8.73	0.16	0.28
6	A	388	367	2.17	3.30	0.69	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.534	0.557	-0.124
H2	0.689	1.524	0.336
F3	1.549	-0.340	0.025
Cl4	-1.049	-0.106	0.011

	C1	H2	F3	Cl4
C1		1.0819	1.3623	1.7216
H2	1.0819		2.0755	2.4048
F3	1.3623	2.0755		2.6081
Cl4	1.7216	2.4048	2.6081

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.759		H2	C1	Cl4	116.269
F3	C1	Cl4	115.000

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

using model chemistry: M06-2X/3-21G*

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	0.021
2	H	0.242
3	F	-0.274
4	Cl	0.012

	x	y	z	Total
	-0.075	1.369	0.446	1.441
CHELPG
AIM
ESP

	x	y	z
x	3.912	0.501	-0.059
y	0.501	2.438	0.084
z	-0.059	0.084	1.491

<r²>	62.702
(<r²>)^1/2	7.918