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	hartrees
Energy at 0K	-598.752944
Energy at 298.15K
HF Energy	-598.752944
Nuclear repulsion energy	93.650335

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	3197	3060	8.61	96.71	0.27	0.42
2	A	1315	1259	62.88	4.00	0.71	0.83
3	A	1200	1148	217.58	3.19	0.45	0.62
4	A	858	821	73.16	4.47	0.45	0.62
5	A	731	700	30.24	8.69	0.18	0.30
6	A	412	394	1.37	3.31	0.66	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.544	0.544	-0.130
H2	0.723	1.496	0.351
F3	1.518	-0.339	0.027
Cl4	-1.038	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0823	1.3241	1.7136
H2	1.0823		2.0259	2.4016
F3	1.3241	2.0259		2.5670
Cl4	1.7136	2.4016	2.5670

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.306		H2	C1	Cl4	116.585
F3	C1	Cl4	114.753

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

using model chemistry: B1B95/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	0.046
2	H	0.142
3	F	-0.152
4	Cl	-0.036

	x	y	z	Total
	-0.069	1.174	0.466	1.265
CHELPG
AIM
ESP

	x	y	z
x	4.500	0.534	-0.123
y	0.534	2.958	0.013
z	-0.123	0.013	2.261

<r²>	61.369
(<r²>)^1/2	7.834