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	hartrees
Energy at 0K	-538.544064
Energy at 298.15K
HF Energy	-538.400957
Nuclear repulsion energy	94.344229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3122	5.57
2	A	3138	3020	10.92
3	A	3089	2973	12.64
4	A	3008	2895	19.16
5	A	1465	1409	2.75
6	A	1446	1391	8.44
7	A	1394	1341	6.70
8	A	1296	1247	41.28
9	A	1125	1083	4.24
10	A	1034	995	17.76
11	A	992	954	0.39
12	A	731	704	28.07
13	A	392	377	21.21
14	A	320	308	9.74
15	A	161	155	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.453	0.606	-0.073
C2	1.653	-0.269	0.010
Cl3	-1.118	-0.129	0.006
H4	0.457	1.662	0.183
H5	1.600	-1.085	-0.725
H6	2.555	0.325	-0.186
H7	1.758	-0.731	1.007

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4865	1.7364	1.0873	2.1443	2.1238	2.1576
C2	1.4865		2.7741	2.2780	1.0991	1.0981	1.1047
Cl3	1.7364	2.7741		2.3916	2.9728	3.7064	3.1040
H4	1.0873	2.2780	2.3916		3.1111	2.5159	2.8457
H5	2.1443	1.0991	2.9728	3.1111		1.7860	1.7752
H6	2.1238	1.0981	3.7064	2.5159	1.7860		1.7819
H7	2.1576	1.1047	3.1040	2.8457	1.7752	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.176	C1	C2	H6	109.595
C1	C2	H7	111.907	C2	C1	Cl3	118.596
C2	C1	H4	123.783	H5	C2	H6	108.750
H5	C2	H7	107.320	H6	C2	H7	107.978

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CHClCH3 (1-chloroethyl radical)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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