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	hartrees
Energy at 0K	-598.761042
Energy at 298.15K
HF Energy	-598.761042
Nuclear repulsion energy	93.498085

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	3158	3158	6.27	96.26	0.24	0.38
2	A	1292	1292	38.87	1.81	0.65	0.79
3	A	1152	1152	206.48	2.74	0.55	0.71
4	A	852	852	63.57	4.21	0.16	0.27
5	A	722	722	27.12	7.66	0.11	0.19
6	A	403	403	1.08	2.12	0.53	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.538	0.549	-0.132
H2	0.720	1.500	0.357
F3	1.521	-0.340	0.027
Cl4	-1.037	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0847	1.3348	1.7101
H2	1.0847		2.0334	2.4027
F3	1.3348	2.0334		2.5692
Cl4	1.7101	2.4027	2.5692

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.967		H2	C1	Cl4	116.792
F3	C1	Cl4	114.520

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

using model chemistry: TPSSh/6-311+G(3df,2p)

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	0.225
2	H	0.139
3	F	-0.208
4	Cl	-0.156

	x	y	z	Total
	-0.039	1.098	0.406	1.171
CHELPG
AIM
ESP

	x	y	z
x	5.382	0.401	-0.111
y	0.401	4.006	-0.025
z	-0.111	-0.025	3.443

<r²>	61.501
(<r²>)^1/2	7.842