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	hartrees
Energy at 0K	-598.585369
Energy at 298.15K
HF Energy	-598.585369
Nuclear repulsion energy	90.222185

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	3251	3251	9.79	90.93	0.24	0.38
2	A	1281	1281	40.42	4.98	0.71	0.83
3	A	1110	1110	206.91	4.62	0.40	0.57
4	A	819	819	53.79	5.87	0.60	0.75
5	A	709	709	44.71	15.88	0.20	0.33
6	A	374	374	2.51	5.22	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.567	0.573	-0.133
H2	0.746	1.519	0.370
F3	1.575	-0.353	0.027
Cl4	-1.078	-0.105	0.011

	C1	H2	F3	Cl4
C1		1.0867	1.3779	1.7850
H2	1.0867		2.0760	2.4686
F3	1.3779	2.0760		2.6645
Cl4	1.7850	2.4686	2.6645

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.257		H2	C1	Cl4	116.429
F3	C1	Cl4	114.179

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

using model chemistry: wB97X-D/SDD

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	-0.043
2	H	0.249
3	F	-0.201
4	Cl	-0.005

	x	y	z	Total
	0.036	1.689	0.572	1.783
CHELPG
AIM
ESP

	x	y	z
x	4.162	0.579	-0.119
y	0.579	2.186	0.008
z	-0.119	0.008	1.305

<r²>	65.229
(<r²>)^1/2	8.076