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	hartrees
Energy at 0K	-537.975832
Energy at 298.15K	-537.979425
HF Energy	-537.527013
Nuclear repulsion energy	93.384031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3162	3013
2	A'	3106	2960
3	A'	1492	1422
4	A'	1455	1387
5	A'	1251	1192
6	A'	1096	1045
7	A'	656	625
8	A'	583	555
9	A'	302	288
10	A"	3277	3123
11	A"	3175	3026
12	A"	1252	1193
13	A"	1057	1008
14	A"	773	737
15	A"	225	214

Atom	x (Å)	y (Å)	z (Å)
C1	-1.483	0.814	0.000
C2	0.000	0.874	0.000
Cl3	0.713	-0.833	0.000
H4	-2.023	0.654	0.942
H5	-2.023	0.654	-0.942
H6	0.407	1.358	-0.903
H7	0.407	1.358	0.903

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4843	2.7455	1.0969	1.0969	2.1641	2.1641
C2	1.4843		1.8499	2.2418	2.2418	1.1020	1.1020
Cl3	2.7455	1.8499		3.2529	3.2529	2.3887	2.3887
H4	1.0969	2.2418	3.2529		1.8830	3.1305	2.5300
H5	1.0969	2.2418	3.2529	1.8830		2.5300	3.1305
H6	2.1641	1.1020	2.3887	3.1305	2.5300		1.8052
H7	2.1641	1.1020	2.3887	2.5300	3.1305	1.8052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.384	C1	C2	H6	112.763
C1	C2	H7	112.763	C2	C1	H4	119.817
C2	C1	H5	119.817	Cl3	C2	H6	105.205
Cl3	C2	H7	105.205	H4	C1	H5	118.258

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

using model chemistry: QCISD(T)/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 CH2CH2Cl (2-chloroethyl radical)

using model chemistry: QCISD(T)/cc-pVDZ

States and conformations

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