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	hartrees
Energy at 0K	-597.393571
Energy at 298.15K
HF Energy	-597.393571
Nuclear repulsion energy	94.392500

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	3338	3033	7.83	83.68	0.22	0.36
2	A	1423	1293	68.18	1.26	0.54	0.70
3	A	1289	1171	207.84	2.31	0.69	0.81
4	A	925	841	41.41	3.00	0.24	0.39
5	A	827	751	48.82	10.00	0.13	0.23
6	A	439	399	2.15	1.68	0.47	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.549	0.542	-0.132
H2	0.728	1.479	0.358
F3	1.500	-0.340	0.027
Cl4	-1.031	-0.098	0.011

	C1	H2	F3	Cl4
C1		1.0723	1.3066	1.7099
H2	1.0723		2.0031	2.3876
F3	1.3066	2.0031		2.5421
Cl4	1.7099	2.3876	2.5421

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.354		H2	C1	Cl4	116.340
F3	C1	Cl4	114.196

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

using model chemistry: HF/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	0.361
2	H	0.170
3	F	-0.305
4	Cl	-0.226

	x	y	z	Total
	0.084	1.347	0.310	1.384
CHELPG
AIM
ESP

	x	y	z
x	4.697	0.359	-0.066
y	0.359	3.655	0.009
z	-0.066	0.009	3.178

<r²>	60.732
(<r²>)^1/2	7.793