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	hartrees
Energy at 0K	-538.565712
Energy at 298.15K	-538.560467
HF Energy	-538.765045
Nuclear repulsion energy	93.284707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3050	3.09
2	A'	3106	2997	10.78
3	A'	1497	1444	0.28
4	A'	1462	1411	2.54
5	A'	1231	1188	14.25
6	A'	1099	1061	8.98
7	A'	671	647	67.47
8	A'	519	501	39.94
9	A'	298	288	13.24
10	A"	3270	3155	4.64
11	A"	3171	3060	2.31
12	A"	1250	1206	0.22
13	A"	1050	1013	0.68
14	A"	780	753	1.33
15	A"	237	229	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	-1.459	0.849	0.000
C2	0.000	0.889	0.000
Cl3	0.700	-0.856	0.000
H4	-2.004	0.732	0.929
H5	-2.004	0.732	-0.929
H6	0.430	1.336	-0.895
H7	0.430	1.336	0.895

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4592	2.7509	1.0834	1.0834	2.1456	2.1456
C2	1.4592		1.8803	2.2142	2.2142	1.0887	1.0887
Cl3	2.7509	1.8803		3.2704	3.2704	2.3836	2.3836
H4	1.0834	2.2142	3.2704		1.8580	3.1004	2.5076
H5	1.0834	2.2142	3.2704	1.8580		2.5076	3.1004
H6	2.1456	1.0887	2.3836	3.1004	2.5076		1.7894
H7	2.1456	1.0887	2.3836	2.5076	3.1004	1.7894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.920	C1	C2	H6	112.781
C1	C2	H7	112.781	C2	C1	H4	120.123
C2	C1	H5	120.123	Cl3	C2	H6	104.946
Cl3	C2	H7	104.946	H4	C1	H5	118.368

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

using model chemistry: G4

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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Number	Element	Mulliken
1	C	-0.230
2	C	-0.168
3	Cl	-0.204
4	H	0.142
5	H	0.142
6	H	0.159
7	H	0.159

	x	y	z	Total
	-1.084	1.984	0.000	2.261
CHELPG
AIM
ESP

<r²>	74.758
(<r²>)^1/2	8.646

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

using model chemistry: G4

States and conformations

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