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	hartrees
Energy at 0K	-538.540554
Energy at 298.15K	-538.544165
HF Energy	-538.374879
Nuclear repulsion energy	94.008564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3201	2.71
2	A'	3137	3137	10.95
3	A'	1516	1516	0.49
4	A'	1481	1481	2.31
5	A'	1261	1261	16.95
6	A'	1107	1107	8.15
7	A'	667	667	85.24
8	A'	577	577	19.20
9	A'	305	305	12.02
10	A"	3314	3314	3.30
11	A"	3204	3204	2.07
12	A"	1271	1271	0.19
13	A"	1072	1072	0.76
14	A"	787	787	1.32
15	A"	229	229	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	-1.463	0.823	0.000
C2	0.000	0.875	0.000
Cl3	0.703	-0.837	0.000
H4	-2.001	0.687	0.927
H5	-2.001	0.687	-0.927
H6	0.416	1.338	-0.891
H7	0.416	1.338	0.891

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4639	2.7292	1.0804	1.0804	2.1420	2.1420
C2	1.4639		1.8507	2.2135	2.2135	1.0866	1.0866
Cl3	2.7292	1.8507		3.2398	3.2398	2.3679	2.3679
H4	1.0804	2.2135	3.2398		1.8536	3.0935	2.5034
H5	1.0804	2.2135	3.2398	1.8536		2.5034	3.0935
H6	2.1420	1.0866	2.3679	3.0935	2.5034		1.7816
H7	2.1420	1.0866	2.3679	2.5034	3.0935	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.305	C1	C2	H6	113.415
C1	C2	H7	113.415	C2	C1	H4	120.159
C2	C1	H5	120.159	Cl3	C2	H6	104.409
Cl3	C2	H7	104.409	H4	C1	H5	118.147

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

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