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	hartrees
Energy at 0K	-537.867462
Energy at 298.15K	-537.871073
HF Energy	-537.503144
Nuclear repulsion energy	94.829678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3322	3076	9.04
2	A	3220	2981	12.24
3	A	3181	2945	15.74
4	A	3105	2875	16.92
5	A	1567	1451	3.08
6	A	1550	1435	8.38
7	A	1498	1387	6.57
8	A	1382	1280	41.44
9	A	1171	1084	1.83
10	A	1097	1015	19.17
11	A	1063	985	0.61
12	A	772	715	27.20
13	A	455	421	28.50
14	A	342	317	4.15
15	A	174	161	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.603	-0.080
C2	1.648	-0.267	0.011
Cl3	-1.112	-0.129	0.007
H4	0.459	1.645	0.201
H5	1.587	-1.094	-0.699
H6	2.542	0.318	-0.212
H7	1.765	-0.698	1.012

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4878	1.7226	1.0795	2.1365	2.1203	2.1512
C2	1.4878		2.7642	2.2597	1.0912	1.0908	1.0960
Cl3	1.7226	2.7642		2.3778	2.9518	3.6877	3.1010
H4	1.0795	2.2597	2.3778		3.0953	2.5038	2.8024
H5	2.1365	1.0912	2.9518	3.0953		1.7722	1.7650
H6	2.1203	1.0908	3.6877	2.5038	1.7722		1.7699
H7	2.1512	1.0960	3.1010	2.8024	1.7650	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.942	C1	C2	H6	109.673
C1	C2	H7	111.833	C2	C1	Cl3	118.684
C2	C1	H4	122.537	H5	C2	H6	108.625
H5	C2	H7	107.596	H6	C2	H7	108.064

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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