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	hartrees
Energy at 0K	-598.608870
Energy at 298.15K
HF Energy	-598.608870
Nuclear repulsion energy	92.400828

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	3106	3045	23.77	106.14	0.28	0.44
2	A	1296	1270	55.99	6.56	0.71	0.83
3	A	1156	1133	173.09	3.85	0.40	0.57
4	A	852	835	43.43	5.39	0.73	0.84
5	A	710	696	62.76	13.82	0.18	0.31
6	A	392	385	0.78	3.77	0.62	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.553	0.552	-0.140
H2	0.720	1.498	0.384
F3	1.538	-0.342	0.029
Cl4	-1.052	-0.102	0.012

	C1	H2	F3	Cl4
C1		1.0938	1.3414	1.7401
H2	1.0938		2.0449	2.4161
F3	1.3414	2.0449		2.6014
Cl4	1.7401	2.4161	2.6014

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.839		H2	C1	Cl4	115.078
F3	C1	Cl4	114.552

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

using model chemistry: B97D3/6-31G*

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	0.012
2	H	0.185
3	F	-0.200
4	Cl	0.003

	x	y	z	Total
	0.245	1.050	0.457	1.171
CHELPG
AIM
ESP

	x	y	z
x	4.457	0.566	-0.095
y	0.566	2.764	0.101
z	-0.095	0.101	1.874

<r²>	62.315
(<r²>)^1/2	7.894