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	hartrees
Energy at 0K	-591.409866
Energy at 298.15K
HF Energy	-591.382905
Nuclear repulsion energy	89.702592

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	3362	3362	1.42	40.79	0.34	0.51
2	A	1438	1438	105.26	1.98	0.40	0.57
3	A	1292	1292	19.59	6.07	0.72	0.84
4	A	892	892	26.86	5.08	0.64	0.78
5	A	787	787	44.34	11.22	0.19	0.32
6	A	390	390	2.86	2.79	0.67	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.602	0.561	-0.149
H2	0.729	1.518	0.409
F3	1.579	-0.352	0.032
Cl4	-1.091	-0.101	0.012

	C1	H2	F3	Cl4
C1		1.1145	1.3493	1.8254
H2	1.1145		2.0882	2.4681
F3	1.3493	2.0882		2.6826
Cl4	1.8254	2.4681	2.6826

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	115.560		H2	C1	Cl4	111.895
F3	C1	Cl4	114.508

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

using model chemistry: B2PLYP=FULLultrafine/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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