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	hartrees
Energy at 0K	-534.648328
Energy at 298.15K	-534.651865
HF Energy	-534.648328
Nuclear repulsion energy	93.247566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	3045	0.40
2	A'	3050	2995	3.64
3	A'	1481	1455	3.27
4	A'	1448	1422	13.15
5	A'	1200	1178	1.00
6	A'	1133	1112	6.19
7	A'	701	689	80.82
8	A'	447	439	43.50
9	A'	293	288	17.31
10	A"	3212	3154	1.10
11	A"	3119	3063	0.08
12	A"	1244	1222	0.24
13	A"	1034	1015	0.29
14	A"	790	776	6.98
15	A"	258	254	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-1.436	0.830	0.000
C2	0.000	0.918	0.000
Cl3	0.689	-0.859	0.000
H4	-1.981	0.697	0.939
H5	-1.981	0.697	-0.939
H6	0.436	1.358	-0.908
H7	0.436	1.358	0.908

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4390	2.7144	1.0935	1.0935	2.1468	2.1468
C2	1.4390		1.9055	2.2031	2.2031	1.0995	1.0995
Cl3	2.7144	1.9055		3.2293	3.2293	2.4092	2.4092
H4	1.0935	2.2031	3.2293		1.8778	3.1128	2.5055
H5	1.0935	2.2031	3.2293	1.8778		2.5055	3.1128
H6	2.1468	1.0995	2.4092	3.1128	2.5055		1.8169
H7	2.1468	1.0995	2.4092	2.5055	3.1128	1.8169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	107.689	C1	C2	H6	114.837
C1	C2	H7	114.837	C2	C1	H4	120.292
C2	C1	H5	120.292	Cl3	C2	H6	103.301
Cl3	C2	H7	103.301	H4	C1	H5	118.330

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

using model chemistry: LSDA/3-21G*

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	-0.348
2	C	-0.585
3	Cl	-0.088
4	H	0.234
5	H	0.234
6	H	0.277
7	H	0.277

	x	y	z	Total
	-1.103	1.992	0.000	2.276
CHELPG
AIM
ESP

	x	y	z
x	5.466	-1.434	0.000
y	-1.434	4.771	0.000
z	0.000	0.000	3.528

<r²>	74.327
(<r²>)^1/2	8.621

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

using model chemistry: LSDA/3-21G*

States and conformations

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