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	hartrees
Energy at 0K	-598.717445
Energy at 298.15K
HF Energy	-598.717445
Nuclear repulsion energy	93.552251

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	3199	3199	5.24	101.55	0.21	0.35
2	A	1280	1280	52.93	2.16	0.49	0.66
3	A	1174	1174	204.34	2.44	0.58	0.74
4	A	861	861	68.94	5.64	0.19	0.32
5	A	732	732	19.88	6.79	0.10	0.18
6	A	407	407	1.29	1.99	0.43	0.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.539	0.551	-0.133
H2	0.722	1.505	0.360
F3	1.517	-0.342	0.027
Cl4	-1.036	-0.102	0.011

	C1	H2	F3	Cl4
C1		1.0898	1.3333	1.7106
H2	1.0898		2.0379	2.4072
F3	1.3333	2.0379		2.5638
Cl4	1.7106	2.4072	2.5638

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.126		H2	C1	Cl4	116.795
F3	C1	Cl4	114.192

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

using model chemistry: B1B95/daug-cc-pVDZ

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	0.537
2	H	-0.325
3	F	-0.451
4	Cl	0.240

	x	y	z	Total
	-0.041	1.111	0.414	1.186
CHELPG
AIM
ESP

	x	y	z
x	5.424	0.412	-0.110
y	0.412	4.128	-0.018
z	-0.110	-0.018	3.586

<r²>	61.381
(<r²>)^1/2	7.835