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	hartrees
Energy at 0K	-1052.913359
Energy at 298.15K
HF Energy	-1052.913359
Nuclear repulsion energy	197.767653

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'	1198	1150	168.50	1.16	0.49	0.66
2	A'	563	540	12.70	17.75	0.10	0.18
3	A'	433	415	1.65	1.74	0.75	0.86
4	A'	289	278	0.18	5.42	0.61	0.76
5	A"	871	836	316.85	1.76	0.75	0.86
6	A"	360	345	0.39	3.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.156	0.432	0.000
F2	-0.694	1.490	0.000
Cl3	0.156	-0.471	1.474
Cl4	0.156	-0.471	-1.474

	C1	F2	Cl3	Cl4
C1		1.3577	1.7282	1.7282
F2	1.3577		2.5962	2.5962
Cl3	1.7282	2.5962		2.9477
Cl4	1.7282	2.5962	2.9477

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	114.018		F2	C1	Cl4	114.018
Cl3	C1	Cl4	117.043

All results from a given calculation for CFCl₂ (dichlorofluoromethyl radical)

using model chemistry: HSEh1PBE/3-21G*

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	0.071
2	F	-0.237
3	Cl	0.083
4	Cl	0.083

	x	y	z	Total
	0.061	-0.464	0.000	0.468
CHELPG
AIM
ESP

	x	y	z
x	2.340	-0.440	0.000
y	-0.440	3.717	0.000
z	0.000	0.000	6.270

<r²>	129.874
(<r²>)^1/2	11.396

All results from a given calculation for CFCl2 (dichlorofluoromethyl radical)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for CFCl₂ (dichlorofluoromethyl radical)