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	hartrees
Energy at 0K	-598.700818
Energy at 298.15K
HF Energy	-598.700818
Nuclear repulsion energy	93.532915

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	3187	3064	10.70	105.07	0.26	0.41
2	A	1295	1245	94.69	3.38	0.71	0.83
3	A	1207	1160	166.19	3.86	0.51	0.68
4	A	859	826	68.25	6.25	0.47	0.64
5	A	736	708	26.78	8.97	0.17	0.29
6	A	409	393	1.34	3.09	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.544	0.546	-0.134
H2	0.720	1.505	0.361
F3	1.518	-0.340	0.028
Cl4	-1.038	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0935	1.3268	1.7149
H2	1.0935		2.0376	2.4061
F3	1.3268	2.0376		2.5670
Cl4	1.7149	2.4061	2.5670

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.337		H2	C1	Cl4	116.149
F3	C1	Cl4	114.522

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

using model chemistry: B1B95/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	0.107
2	H	0.083
3	F	-0.142
4	Cl	-0.048

	x	y	z	Total
	0.067	1.081	0.428	1.164
CHELPG
AIM
ESP

	x	y	z
x	4.234	0.571	-0.094
y	0.571	2.634	0.092
z	-0.094	0.092	1.828

<r²>	61.179
(<r²>)^1/2	7.822