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	hartrees
Energy at 0K	-598.649097
Energy at 298.15K
HF Energy	-598.649097
Nuclear repulsion energy	93.247717

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	3179	3066	8.62	96.74	0.26	0.42
2	A	1307	1260	56.07	4.19	0.72	0.83
3	A	1183	1141	217.85	3.12	0.44	0.61
4	A	848	817	71.04	4.26	0.46	0.63
5	A	724	698	31.42	9.08	0.18	0.30
6	A	409	395	1.24	3.46	0.66	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.546	0.545	-0.130
H2	0.725	1.501	0.350
F3	1.526	-0.340	0.027
Cl4	-1.043	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0851	1.3288	1.7212
H2	1.0851		2.0330	2.4102
F3	1.3288	2.0330		2.5799
Cl4	1.7212	2.4102	2.5799

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.364		H2	C1	Cl4	116.539
F3	C1	Cl4	114.922

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

using model chemistry: B3PW91/TZVP

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	0.047
2	H	0.145
3	F	-0.149
4	Cl	-0.042

	x	y	z	Total
	-0.032	1.187	0.457	1.272
CHELPG
AIM
ESP

	x	y	z
x	4.532	0.533	-0.122
y	0.533	2.971	0.010
z	-0.122	0.010	2.265

<r²>	61.834
(<r²>)^1/2	7.863