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	hartrees
Energy at 0K	-538.080507
Energy at 298.15K	-538.084169
HF Energy	-537.551832
Nuclear repulsion energy	93.827973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3176	3036
2	A'	3123	2985
3	A'	1517	1451
4	A'	1483	1418
5	A'	1310	1252
6	A'	1098	1049
7	A'	688	657
8	A'	595	568
9	A'	307	294
10	A"	3287	3143
11	A"	3190	3050
12	A"	1283	1227
13	A"	1091	1043
14	A"	793	758
15	A"	238	228

Atom	x (Å)	y (Å)	z (Å)
C1	-1.469	0.824	0.000
C2	0.000	0.874	0.000
Cl3	0.707	-0.838	0.000
H4	-2.004	0.679	0.929
H5	-2.004	0.679	-0.929
H6	0.401	1.347	-0.892
H7	0.401	1.347	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4699	2.7384	1.0815	1.0815	2.1367	2.1367
C2	1.4699		1.8517	2.2174	2.2174	1.0867	1.0867
Cl3	2.7384	1.8517		3.2427	3.2427	2.3798	2.3798
H4	1.0815	2.2174	3.2427		1.8571	3.0895	2.4961
H5	1.0815	2.2174	3.2427	1.8571		2.4961	3.0895
H6	2.1367	1.0867	2.3798	3.0895	2.4961		1.7847
H7	2.1367	1.0867	2.3798	2.4961	3.0895	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.533	C1	C2	H6	112.527
C1	C2	H7	112.527	C2	C1	H4	119.932
C2	C1	H5	119.932	Cl3	C2	H6	105.177
Cl3	C2	H7	105.177	H4	C1	H5	118.323

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

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

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