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	hartrees
Energy at 0K	-598.454529
Energy at 298.15K
HF Energy	-598.296237
Nuclear repulsion energy	92.780206

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	3203	3081	5.37	99.53	0.22	0.36
2	A	1282	1233	39.66	1.61	0.62	0.77
3	A	1134	1091	209.86	3.14	0.52	0.68
4	A	856	823	59.46	4.46	0.18	0.31
5	A	749	720	30.33	9.45	0.12	0.22
6	A	402	387	1.22	2.26	0.51	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.543	0.557	-0.135
H2	0.725	1.507	0.370
F3	1.530	-0.344	0.027
Cl4	-1.044	-0.103	0.012

	C1	H2	F3	Cl4
C1		1.0915	1.3465	1.7250
H2	1.0915		2.0472	2.4190
F3	1.3465	2.0472		2.5856
Cl4	1.7250	2.4190	2.5856

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	113.811		H2	C1	Cl4	116.575
F3	C1	Cl4	114.101

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

using model chemistry: B2PLYP=FULL/aug-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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