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	hartrees
Energy at 0K	-591.733058
Energy at 298.15K
HF Energy	-591.733058
Nuclear repulsion energy	89.338483

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	3290	2936	1.44	42.31	0.34	0.51
2	A	1411	1259	98.28	2.38	0.30	0.46
3	A	1272	1135	19.47	6.04	0.70	0.82
4	A	873	779	28.50	4.57	0.69	0.82
5	A	754	673	44.52	10.77	0.19	0.32
6	A	383	342	2.34	2.70	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.608	0.563	-0.152
H2	0.732	1.516	0.419
F3	1.585	-0.354	0.032
Cl4	-1.097	-0.101	0.012

	C1	H2	F3	Cl4
C1		1.1174	1.3520	1.8367
H2	1.1174		2.0906	2.4744
F3	1.3520	2.0906		2.6934
Cl4	1.8367	2.4744	2.6934

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.356		H2	C1	Cl4	111.441
F3	C1	Cl4	114.413

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

using model chemistry: B3LYP/STO-3G

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	0.059
2	H	0.101
3	F	-0.013
4	Cl	-0.147

	x	y	z	Total
	1.646	0.808	0.429	1.883
CHELPG
AIM
ESP

	x	y	z
x	2.788	0.347	0.015
y	0.347	1.214	0.057
z	0.015	0.057	0.477

<r²>	64.888
(<r²>)^1/2	8.055