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	hartrees
Energy at 0K	-597.234369
Energy at 298.15K
HF Energy	-597.234369
Nuclear repulsion energy	91.006606

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	3435	3101	5.81	95.00	0.24	0.39
2	A	1392	1257	66.51	5.54	0.74	0.85
3	A	1218	1100	175.03	5.38	0.61	0.76
4	A	873	788	24.18	7.05	0.68	0.81
5	A	761	687	76.54	25.12	0.25	0.40
6	A	397	359	4.54	4.98	0.61	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.572	0.572	-0.131
H2	0.748	1.501	0.367
F3	1.555	-0.354	0.026
Cl4	-1.069	-0.103	0.011

	C1	H2	F3	Cl4
C1		1.0681	1.3593	1.7807
H2	1.0681		2.0511	2.4495
F3	1.3593	2.0511		2.6368
Cl4	1.7807	2.4495	2.6368

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.810		H2	C1	Cl4	116.346
F3	C1	Cl4	113.551

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

using model chemistry: HF/6-31G

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	0.139
2	H	0.217
3	F	-0.387
4	Cl	0.030

	x	y	z	Total
	0.140	2.055	0.309	2.083
CHELPG
AIM
ESP

	x	y	z
x	3.954	0.620	-0.071
y	0.620	2.189	0.102
z	-0.071	0.102	1.265

<r²>	64.538
(<r²>)^1/2	8.034