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	hartrees
Energy at 0K	-537.993699
Energy at 298.15K	-537.997308
HF Energy	-537.533909
Nuclear repulsion energy	93.351277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3052	3.99
2	A'	3115	3001	12.95
3	A'	1497	1442	0.04
4	A'	1464	1410	2.30
5	A'	1255	1209	17.54
6	A'	1100	1060	8.40
7	A'	663	639	88.59
8	A'	581	559	6.70
9	A'	308	296	11.73
10	A"	3283	3163	4.98
11	A"	3183	3067	2.48
12	A"	1258	1212	0.30
13	A"	1065	1026	0.78
14	A"	778	749	0.52
15	A"	221	213	1.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.482	0.813	0.000
C2	0.000	0.879	0.000
Cl3	0.713	-0.835	0.000
H4	-2.022	0.672	0.940
H5	-2.022	0.672	-0.940
H6	0.410	1.351	-0.903
H7	0.410	1.351	0.903

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4831	2.7440	1.0931	1.0931	2.1639	2.1639
C2	1.4831		1.8564	2.2394	2.2394	1.0980	1.0980
Cl3	2.7440	1.8564		3.2607	3.2607	2.3844	2.3844
H4	1.0931	2.2394	3.2607		1.8791	3.1257	2.5254
H5	1.0931	2.2394	3.2607	1.8791		2.5254	3.1257
H6	2.1639	1.0980	2.3844	3.1257	2.5254		1.8053
H7	2.1639	1.0980	2.3844	2.5254	3.1257	1.8053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.007	C1	C2	H6	113.093
C1	C2	H7	113.093	C2	C1	H4	119.987
C2	C1	H5	119.987	Cl3	C2	H6	104.689
Cl3	C2	H7	104.689	H4	C1	H5	118.532

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

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVDZ

States and conformations

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