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	hartrees
Energy at 0K	-538.149640
Energy at 298.15K	-538.153232
HF Energy	-537.568040
Nuclear repulsion energy	94.041630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3157	3052
2	A'	3103	3000
3	A'	1512	1461
4	A'	1471	1422
5	A'	1258	1216
6	A'	1094	1058
7	A'	664	642
8	A'	577	558
9	A'	301	291
10	A"	3267	3158
11	A"	3167	3062
12	A"	1266	1224
13	A"	1067	1032
14	A"	780	754
15	A"	216	209

Atom	x (Å)	y (Å)	z (Å)
C1	-1.469	0.808	0.000
C2	0.000	0.876	0.000
Cl3	0.706	-0.831	0.000
H4	-2.003	0.669	0.930
H5	-2.003	0.669	-0.930
H6	0.408	1.341	-0.894
H7	0.408	1.341	0.894

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4703	2.7235	1.0815	1.0815	2.1458	2.1458
C2	1.4703		1.8471	2.2183	2.2183	1.0870	1.0870
Cl3	2.7235	1.8471		3.2337	3.2337	2.3676	2.3676
H4	1.0815	2.2183	3.2337		1.8597	3.0969	2.5034
H5	1.0815	2.2183	3.2337	1.8597		2.5034	3.0969
H6	2.1458	1.0870	2.3676	3.0969	2.5034		1.7874
H7	2.1458	1.0870	2.3676	2.5034	3.0969	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.848	C1	C2	H6	113.237
C1	C2	H7	113.237	C2	C1	H4	119.979
C2	C1	H5	119.979	Cl3	C2	H6	104.599
Cl3	C2	H7	104.599	H4	C1	H5	118.573

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)

using model chemistry: QCISD(T)/aug-cc-pVTZ

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 CH2CH2Cl (2-chloroethyl radical)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)