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	hartrees
Energy at 0K	-538.547367
Energy at 298.15K
HF Energy	-538.380508
Nuclear repulsion energy	94.935048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3258	3258	5.51
2	A	3154	3154	8.89
3	A	3108	3108	11.34
4	A	3028	3028	15.44
5	A	1503	1503	2.31
6	A	1486	1486	7.08
7	A	1423	1423	3.65
8	A	1311	1311	41.67
9	A	1131	1131	4.32
10	A	1049	1049	18.92
11	A	1015	1015	0.78
12	A	744	744	26.42
13	A	407	407	22.89
14	A	327	327	6.33
15	A	157	157	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.601	-0.073
C2	1.646	-0.265	0.009
Cl3	-1.111	-0.129	0.006
H4	0.452	1.650	0.182
H5	1.582	-1.098	-0.694
H6	2.539	0.318	-0.221
H7	1.776	-0.696	1.010

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4831	1.7202	1.0794	2.1366	2.1189	2.1511
C2	1.4831		2.7603	2.2632	1.0921	1.0914	1.0978
Cl3	1.7202	2.7603		2.3743	2.9463	3.6847	3.1090
H4	1.0794	2.2632	2.3743		3.0975	2.5088	2.8181
H5	2.1366	1.0921	2.9463	3.0975		1.7736	1.7623
H6	2.1189	1.0914	3.6847	2.5088	1.7736		1.7685
H7	2.1511	1.0978	3.1090	2.8181	1.7623	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.233	C1	C2	H6	109.843
C1	C2	H7	112.054	C2	C1	Cl3	118.835
C2	C1	H4	123.299	H5	C2	H6	108.640
H5	C2	H7	107.167	H6	C2	H7	107.766

All results from a given calculation for CHClCH₃ (1-chloroethyl radical)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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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All results from a given calculation for CHClCH3 (1-chloroethyl radical)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for CHClCH₃ (1-chloroethyl radical)