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	hartrees
Energy at 0K	-595.428430
Energy at 298.15K
HF Energy	-595.428430
Nuclear repulsion energy	89.770298

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	3202	3084	9.40	93.01	0.26	0.41
2	A	1308	1260	70.09	6.11	0.66	0.79
3	A	1212	1167	118.09	4.89	0.54	0.70
4	A	829	799	29.66	6.43	0.74	0.85
5	A	649	625	84.06	19.03	0.23	0.37
6	A	354	341	2.17	5.30	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.604	0.566	-0.138
H2	0.726	1.510	0.385
F3	1.578	-0.354	0.029
Cl4	-1.091	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0855	1.3504	1.8275
H2	1.0855		2.0796	2.4570
F3	1.3504	2.0796		2.6811
Cl4	1.8275	2.4570	2.6811

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	116.817		H2	C1	Cl4	112.503
F3	C1	Cl4	114.223

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

using model chemistry: HSEh1PBE/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	-0.063
2	H	0.266
3	F	-0.236
4	Cl	0.033

	x	y	z	Total
	0.705	1.449	0.548	1.702
CHELPG
AIM
ESP

	x	y	z
x	4.278	0.655	-0.088
y	0.655	2.202	0.097
z	-0.088	0.097	1.204

<r²>	65.876
(<r²>)^1/2	8.116