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	hartrees
Energy at 0K	-537.665926
Energy at 298.15K	-537.669460
HF Energy	-537.449266
Nuclear repulsion energy	92.024583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3289	3076	7.30
2	A	3154	2949	13.03
3	A	3118	2916	17.15
4	A	3047	2850	15.72
5	A	1565	1463	4.83
6	A	1544	1444	10.12
7	A	1504	1406	7.34
8	A	1345	1258	53.60
9	A	1158	1083	2.27
10	A	1082	1012	9.41
11	A	1072	1002	8.54
12	A	679	635	32.31
13	A	438	409	34.53
14	A	329	308	3.43
15	A	165	154	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.500	0.621	-0.080
C2	1.691	-0.282	0.012
Cl3	-1.157	-0.127	0.006
H4	0.504	1.665	0.208
H5	1.614	-1.109	-0.705
H6	2.600	0.290	-0.212
H7	1.802	-0.721	1.016

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4974	1.8201	1.0832	2.1506	2.1295	2.1680
C2	1.4974		2.8519	2.2890	1.0972	1.0975	1.1019
Cl3	1.8201	2.8519		2.4518	3.0248	3.7861	3.1827
H4	1.0832	2.2890	2.4518		3.1246	2.5412	2.8347
H5	2.1506	1.0972	3.0248	3.1246		1.7815	1.7748
H6	2.1295	1.0975	3.7861	2.5412	1.7815		1.7803
H7	2.1680	1.1019	3.1827	2.8347	1.7748	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.025	C1	C2	H6	109.333
C1	C2	H7	112.147	C2	C1	Cl3	118.231
C2	C1	H4	124.216	H5	C2	H6	108.521
H5	C2	H7	107.617	H6	C2	H7	108.085

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

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

using model chemistry: CID/6-31G

States and conformations

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