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	hartrees
Energy at 0K	-598.734936
Energy at 298.15K
HF Energy	-598.734936
Nuclear repulsion energy	93.772700

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	3196	3063	15.45	95.77	0.29	0.45
2	A	1331	1276	67.44	4.43	0.73	0.85
3	A	1203	1154	208.04	3.07	0.49	0.66
4	A	869	833	66.80	4.50	0.57	0.72
5	A	747	717	39.26	10.10	0.20	0.33
6	A	413	396	1.29	3.49	0.68	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.543	0.545	-0.135
H2	0.722	1.490	0.366
F3	1.514	-0.339	0.028
Cl4	-1.036	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0836	1.3237	1.7119
H2	1.0836		2.0216	2.3963
F3	1.3237	2.0216		2.5610
Cl4	1.7119	2.3963	2.5610

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.865		H2	C1	Cl4	116.198
F3	C1	Cl4	114.458

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

using model chemistry: B1B95/6-311G*

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	-0.063
2	H	0.250
3	F	-0.166
4	Cl	-0.021

	x	y	z	Total
	0.083	1.193	0.470	1.285
CHELPG
AIM
ESP

	x	y	z
x	4.397	0.636	-0.147
y	0.636	2.620	0.051
z	-0.147	0.051	1.834

<r²>	61.236
(<r²>)^1/2	7.825