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	hartrees
Energy at 0K	-597.348829
Energy at 298.15K
HF Energy	-597.348829
Nuclear repulsion energy	93.562963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3348	3348	9.04
2	A	1396	1396	58.99
3	A	1251	1251	221.30
4	A	964	964	15.02
5	A	847	847	80.03
6	A	430	430	1.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.555	0.553	-0.140
H2	0.729	1.480	0.387
F3	1.509	-0.345	0.029
Cl4	-1.038	-0.100	0.012

	C1	H2	F3	Cl4
C1		1.0805	1.3209	1.7279
H2	1.0805		2.0164	2.4000
F3	1.3209	2.0164		2.5588
Cl4	1.7279	2.4000	2.5588

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.840		H2	C1	Cl4	115.487
F3	C1	Cl4	113.457

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

using model chemistry: ROHF/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	0.677
2	H	-0.160
3	F	-0.643
4	Cl	0.126

	x	y	z	Total
	0.167	1.420	0.312	1.464
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	61.484
(<r²>)^1/2	7.841