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	hartrees
Energy at 0K	-598.712388
Energy at 298.15K
HF Energy	-598.712388
Nuclear repulsion energy	92.884767

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	3105	3057	8.66	108.32	0.23	0.38
2	A	1261	1241	33.49	2.02	0.60	0.75
3	A	1114	1097	210.61	2.98	0.60	0.75
4	A	824	811	63.19	4.49	0.15	0.26
5	A	685	674	31.24	9.94	0.11	0.20
6	A	396	390	0.63	2.47	0.48	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.541	0.549	-0.133
H2	0.718	1.503	0.360
F3	1.534	-0.339	0.027
Cl4	-1.046	-0.103	0.011

	C1	H2	F3	Cl4
C1		1.0883	1.3418	1.7216
H2	1.0883		2.0422	2.4104
F3	1.3418	2.0422		2.5905
Cl4	1.7216	2.4104	2.5905

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.961		H2	C1	Cl4	116.326
F3	C1	Cl4	114.920

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

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.048
2	H	0.304
3	F	-0.264
4	Cl	0.008

	x	y	z	Total
	-0.025	1.041	0.404	1.117
CHELPG
AIM
ESP

	x	y	z
x	5.696	0.428	-0.126
y	0.428	4.255	-0.024
z	-0.126	-0.024	3.676

<r²>	62.184
(<r²>)^1/2	7.886