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	hartrees
Energy at 0K	-538.178529
Energy at 298.15K	-538.182182
HF Energy	-537.566968
Nuclear repulsion energy	94.655695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3040	3.53
2	A'	3146	2983	13.10
3	A'	1534	1455	0.56
4	A'	1500	1423	3.12
5	A'	1289	1222	16.11
6	A'	1111	1054	7.50
7	A'	691	655	89.78
8	A'	609	578	3.03
9	A'	312	295	10.51
10	A"	3295	3124	3.85
11	A"	3186	3021	2.77
12	A"	1290	1223	0.17
13	A"	1084	1028	0.85
14	A"	793	752	0.92
15	A"	217	205	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.465	0.805	0.000
C2	0.000	0.861	0.000
Cl3	0.705	-0.824	0.000
H4	-1.997	0.670	0.924
H5	-1.997	0.670	-0.924
H6	0.400	1.335	-0.885
H7	0.400	1.335	0.885

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4660	2.7133	1.0747	1.0747	2.1308	2.1308
C2	1.4660		1.8269	2.2088	2.2088	1.0805	1.0805
Cl3	2.7133	1.8269		3.2231	3.2231	2.3535	2.3535
H4	1.0747	2.2088	3.2231		1.8476	3.0755	2.4876
H5	1.0747	2.2088	3.2231	1.8476		2.4876	3.0755
H6	2.1308	1.0805	2.3535	3.0755	2.4876		1.7701
H7	2.1308	1.0805	2.3535	2.4876	3.0755	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.492	C1	C2	H6	112.728
C1	C2	H7	112.728	C2	C1	H4	119.988
C2	C1	H5	119.988	Cl3	C2	H6	105.183
Cl3	C2	H7	105.183	H4	C1	H5	118.541

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

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