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	hartrees
Energy at 0K	-598.640508
Energy at 298.15K
HF Energy	-598.640508
Nuclear repulsion energy	93.143354

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	3182	3031	9.91	102.46	0.25	0.40
2	A	1299	1237	84.87	3.40	0.72	0.84
3	A	1203	1146	176.41	3.62	0.51	0.67
4	A	855	815	64.46	5.69	0.51	0.68
5	A	740	705	32.90	9.46	0.17	0.29
6	A	409	390	1.34	3.14	0.66	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.550	0.548	-0.135
H2	0.726	1.507	0.363
F3	1.523	-0.342	0.028
Cl4	-1.043	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0956	1.3287	1.7260
H2	1.0956		2.0417	2.4165
F3	1.3287	2.0417		2.5777
Cl4	1.7260	2.4165	2.5777

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.399		H2	C1	Cl4	116.040
F3	C1	Cl4	114.475

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

using model chemistry: wB97X-D/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	0.101
2	H	0.096
3	F	-0.141
4	Cl	-0.056

	x	y	z	Total
	0.147	1.139	0.424	1.224
CHELPG
AIM
ESP

	x	y	z
x	4.224	0.566	-0.091
y	0.566	2.619	0.090
z	-0.091	0.090	1.819

<r²>	61.634
(<r²>)^1/2	7.851