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	hartrees
Energy at 0K	-598.578045
Energy at 298.15K
HF Energy	-598.578045
Nuclear repulsion energy	93.646104

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	3173	3051	11.43	90.63	0.27	0.42
2	A	1309	1259	85.65	3.03	0.69	0.82
3	A	1223	1176	139.44	3.23	0.48	0.65
4	A	856	823	59.04	5.10	0.40	0.57
5	A	721	693	28.90	8.62	0.14	0.24
6	A	407	392	0.95	2.40	0.60	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.547	0.541	-0.131
H2	0.717	1.502	0.350
F3	1.517	-0.339	0.027
Cl4	-1.039	-0.100	0.011

	C1	H2	F3	Cl4
C1		1.0878	1.3191	1.7169
H2	1.0878		2.0329	2.4013
F3	1.3191	2.0329		2.5672
Cl4	1.7169	2.4013	2.5672

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.924		H2	C1	Cl4	115.964
F3	C1	Cl4	114.841

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.031
2	H	0.174
3	F	-0.058
4	Cl	-0.085

	x	y	z	Total
	0.250	1.038	0.376	1.131
CHELPG
AIM
ESP

	x	y	z
x	4.600	0.480	-0.066
y	0.480	3.197	0.079
z	-0.066	0.079	2.445

<r²>	61.072
(<r²>)^1/2	7.815