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	hartrees
Energy at 0K	-598.654654
Energy at 298.15K
HF Energy	-598.654654
Nuclear repulsion energy	93.944712

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	3177	3041	4.80	90.71	0.23	0.37
2	A	1297	1242	48.63	1.65	0.65	0.79
3	A	1183	1133	198.15	2.51	0.58	0.73
4	A	856	820	67.18	5.24	0.12	0.22
5	A	697	667	18.96	5.50	0.11	0.21
6	A	412	394	1.24	1.90	0.54	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.535	0.542	-0.126
H2	0.718	1.505	0.336
F3	1.516	-0.337	0.026
Cl4	-1.033	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0838	1.3258	1.7004
H2	1.0838		2.0311	2.3985
F3	1.3258	2.0311		2.5602
Cl4	1.7004	2.3985	2.5602

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.522		H2	C1	Cl4	117.233
F3	C1	Cl4	115.000

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

using model chemistry: B3PW91/6-311+G(3df,2p)

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	0.169
2	H	0.173
3	F	-0.197
4	Cl	-0.145

	x	y	z	Total
	-0.069	1.078	0.396	1.151
CHELPG
AIM
ESP

	x	y	z
x	5.284	0.400	-0.111
y	0.400	3.963	-0.028
z	-0.111	-0.028	3.424

<r²>	61.102
(<r²>)^1/2	7.817