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	hartrees
Energy at 0K	-537.901582
Energy at 298.15K	-537.905221
HF Energy	-537.499238
Nuclear repulsion energy	94.202610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3039	4.73
2	A'	3141	2973	16.43
3	A'	1549	1466	1.06
4	A'	1514	1433	2.73
5	A'	1336	1265	23.66
6	A'	1118	1058	7.84
7	A'	709	671	90.42
8	A'	610	577	10.83
9	A'	319	302	10.59
10	A"	3318	3140	6.66
11	A"	3203	3032	5.28
12	A"	1308	1238	0.03
13	A"	1114	1054	1.12
14	A"	803	760	1.63
15	A"	206	195	1.79

Atom	x (Å)	y (Å)	z (Å)
C1	-1.479	0.811	0.000
C2	0.000	0.854	0.000
Cl3	0.713	-0.824	0.000
H4	-2.018	0.666	0.930
H5	-2.018	0.666	-0.930
H6	0.397	1.345	-0.890
H7	0.397	1.345	0.890

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4794	2.7338	1.0851	1.0851	2.1442	2.1442
C2	1.4794		1.8227	2.2304	2.2304	1.0918	1.0918
Cl3	2.7338	1.8227		3.2469	3.2469	2.3656	2.3656
H4	1.0851	2.2304	3.2469		1.8603	3.1003	2.5097
H5	1.0851	2.2304	3.2469	1.8603		2.5097	3.1003
H6	2.1442	1.0918	2.3656	3.1003	2.5097		1.7810
H7	2.1442	1.0918	2.3656	2.5097	3.1003	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.341	C1	C2	H6	112.137
C1	C2	H7	112.137	C2	C1	H4	120.071
C2	C1	H5	120.071	Cl3	C2	H6	105.772
Cl3	C2	H7	105.772	H4	C1	H5	118.002

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

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

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