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	hartrees
Energy at 0K	-598.551318
Energy at 298.15K
HF Energy	-598.551318
Nuclear repulsion energy	90.556434

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	3250	3250	7.80	97.93	0.26	0.41
2	A	1306	1306	47.72	6.60	0.73	0.85
3	A	1149	1149	166.19	4.07	0.49	0.65
4	A	829	829	57.09	7.55	0.62	0.76
5	A	704	704	45.65	14.48	0.19	0.32
6	A	381	381	2.46	4.82	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.569	0.570	-0.132
H2	0.740	1.517	0.366
F3	1.568	-0.352	0.027
Cl4	-1.074	-0.104	0.011

	C1	H2	F3	Cl4
C1		1.0838	1.3688	1.7820
H2	1.0838		2.0723	2.4590
F3	1.3688	2.0723		2.6542
Cl4	1.7820	2.4590	2.6542

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.843		H2	C1	Cl4	116.061
F3	C1	Cl4	114.151

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

using model chemistry: wB97X-D/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	-0.005
2	H	0.216
3	F	-0.275
4	Cl	0.065

	x	y	z	Total
	0.167	1.613	0.511	1.701
CHELPG
AIM
ESP

	x	y	z
x	4.263	0.589	-0.091
y	0.589	2.346	0.074
z	-0.091	0.074	1.367

<r²>	64.758
(<r²>)^1/2	8.047