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	hartrees
Energy at 0K	-45.299698
Energy at 298.15K
HF Energy	-45.299698
Nuclear repulsion energy	34.908495

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	3182	3182	15.98	100.62	0.26	0.42
2	A	1316	1316	72.71	4.69	0.72	0.84
3	A	1189	1189	215.57	3.79	0.44	0.61
4	A	868	868	63.31	4.71	0.45	0.62
5	A	762	762	44.63	11.14	0.18	0.31
6	A	405	405	1.36	3.26	0.65	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.550	0.554	-0.136
H2	0.732	1.501	0.371
F3	1.531	-0.344	0.028
Cl4	-1.048	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0898	1.3396	1.7332
H2	1.0898		2.0397	2.4220
F3	1.3396	2.0397		2.5901
Cl4	1.7332	2.4220	2.5901

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.791		H2	C1	Cl4	116.311
F3	C1	Cl4	114.294

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

using model chemistry: wB97X-D/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	0.035
2	H	0.195
3	F	-0.178
4	Cl	-0.051

	x	y	z	Total
	0.040	1.235	0.479	1.326
CHELPG
AIM
ESP

	x	y	z
x	4.534	0.538	-0.127
y	0.538	2.962	0.051
z	-0.127	0.051	2.265

<r²>	44.525
(<r²>)^1/2	6.673