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	hartrees
Energy at 0K	-598.563681
Energy at 298.15K
HF Energy	-598.563681
Nuclear repulsion energy	93.243948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3198	3059	16.78
2	A	1332	1275	78.94
3	A	1214	1161	161.47
4	A	867	829	60.29
5	A	742	710	39.51
6	A	406	389	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.547	0.547	-0.133
H2	0.720	1.500	0.361
F3	1.524	-0.340	0.028
Cl4	-1.042	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0879	1.3297	1.7220
H2	1.0879		2.0362	2.4066
F3	1.3297	2.0362		2.5774
Cl4	1.7220	2.4066	2.5774

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.377		H2	C1	Cl4	116.005
F3	C1	Cl4	114.647

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

using model chemistry: B3PW91/6-31G*

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	0.006
2	H	0.202
3	F	-0.215
4	Cl	0.007

	x	y	z	Total
	0.216	1.125	0.433	1.225
CHELPG
AIM
ESP

	x	y	z
x	4.238	0.544	-0.086
y	0.544	2.696	0.094
z	-0.086	0.094	1.840

<r²>	61.516
(<r²>)^1/2	7.843