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	hartrees
Energy at 0K	-45.302839
Energy at 298.15K
HF Energy	-45.302839
Nuclear repulsion energy	34.661691

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	3145	3048	17.71	106.86	0.27	0.43
2	A	1298	1258	60.64	5.31	0.73	0.85
3	A	1152	1117	215.18	3.77	0.44	0.61
4	A	849	823	49.60	4.00	0.57	0.72
5	A	744	721	53.85	14.07	0.19	0.32
6	A	392	380	1.14	3.62	0.65	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.555	0.559	-0.139
H2	0.736	1.501	0.382
F3	1.543	-0.346	0.028
Cl4	-1.056	-0.102	0.012

	C1	H2	F3	Cl4
C1		1.0918	1.3499	1.7475
H2	1.0918		2.0466	2.4327
F3	1.3499	2.0466		2.6099
Cl4	1.7475	2.4327	2.6099

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.474		H2	C1	Cl4	115.990
F3	C1	Cl4	114.216

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

using model chemistry: B3LYP/CEP-121G*

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	0.179
3	F	-0.183
4	Cl	-0.042

	x	y	z	Total
	-0.011	1.223	0.470	1.310
CHELPG
AIM
ESP

	x	y	z
x	4.668	0.574	-0.129
y	0.574	3.020	0.061
z	-0.129	0.061	2.279

<r²>	45.052
(<r²>)^1/2	6.712